| CAS Number | 1796596-46-7 |
| Catalog Number | AG00ASTO(AGN-PC-0WNHEF) |
| Chemical Name | NSC23005 sodium |
| IUPAC Name | sodium;4-(cyclohexylsulfamoyl)benzoate |
| InChI | InChI=1S/C13H17NO4S.Na/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11;/h6-9,11,14H,1-5H2,(H,15,16);/q;+1/p-1 |
| InChI Key | MLHFBDVMTRIQMW-UHFFFAOYSA-M |
| MDL Number | MFCD30534395 |
| Molecular Formula | C13H16NNaO4S |
| Molecular Weight | 305.3252 |
| SMILES | O=C([O-])C1=CC=C(S(=O)(NC2CCCCC2)=O)C=C1.[Na+] |
| Synonyms | NSC23005 Sodium,
NSC 23005 sodium,
1796596-46-7,
NSC23005 (sodium),
sodium 4-(N-cyclohexylsulfamoyl)benzoate,
EX-A1226,
AKOS030210954,
CS-6058,
AK684359,
HY-100791,
4-[(Cyclohexylamino)sulfonyl]benzoic acid sodium salt,
1796596-46-7 (sodium),
Sodium;4-(cyclohexylsulfamoyl)benzoate,
6314-70-1,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.324g/mol |
| Monoisotopic Mass | 305.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number