| CAS Number | 675624-80-3 |
| Catalog Number | AG00JD62(AGN-PC-0LP4LZ) |
| Chemical Name | [1-(([(4-Methylphenyl)sulfonyl]amino)methyl)cyclohexyl]acetic Acid |
| IUPAC Name | 2-[1-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexyl]acetic acid |
| InChI | InChI=1S/C16H23NO4S/c1-13-5-7-14(8-6-13)22(20,21)17-12-16(11-15(18)19)9-3-2-4-10-16/h5-8,17H,2-4,9-12H2,1H3,(H,18,19) |
| InChI Key | CNTJKVYUZPNHKF-UHFFFAOYSA-N |
| MDL Number | MFCD10007615 |
| Molecular Formula | C16H23NO4S |
| Molecular Weight | 325.4231 |
| SMILES | CC1=CC=C(S(NCC2(CCCCC2)CC(O)=O)(=O)=O)C=C1 |
| Synonyms | 675624-80-3,
[1-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexyl]acetic acid,
2-[1-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexyl]acetic Acid,
2-(1-((4-Methylphenylsulfonamido)methyl)cyclohexyl)acetic acid,
7232-06-6,
[1-(([(4-Methylphenyl)sulfonyl]amino)methyl)cyclohexyl]acetic acid,
AC1NRUQ7,
DTXSID40413094,
ALBB-015796,
MFCD10007615,
STL457176,
ZINC11766647,
AKOS005175129,
T1263,
[1-(4-methylbenzenesulfonamidomethyl)cyclohexyl]acetic acid,
[1-({[(4-methylphenyl)sulfonyl]amino}-methyl)cyclohexyl]acetic acid,
[1-({[(4-Methylphenyl)sulfonyl]amino}methyl)-cyclohexyl]acetic acid,
cyclohexaneacetic acid, 1-[[[(4-methylphenyl)sulfonyl]amino]methyl]-,
Achiral center(s),
CID5248230,
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| Complexity | 469 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.423g/mol |
| Monoisotopic Mass | 325.135g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number