| CAS Number | 866323-86-6 |
| Catalog Number | AG019F2J(AGN-PC-0V7B3V) |
| Chemical Name | (E)-Methyl 3-(3-(N-phenylsulfamoyl)phenyl)acrylate |
| IUPAC Name | methyl (E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoate |
| InChI | InChI=1S/C16H15NO4S/c1-21-16(18)11-10-13-6-5-9-15(12-13)22(19,20)17-14-7-3-2-4-8-14/h2-12,17H,1H3/b11-10+ |
| InChI Key | DHTBNYJTBNLKDO-ZHACJKMWSA-N |
| MDL Number | MFCD20526565 |
| Molecular Formula | C16H15NO4S |
| Molecular Weight | 317.3596 |
| SMILES | COC(=O)C=CC1=CC=CC(=C1)S(=O)(=O)NC1=CC=CC=C1 |
| Synonyms | 866323-86-6,
(E)-methyl 3-(3-(N-phenylsulfamoyl)phenyl)acrylate,
3-(3-Phenylsulfamoylphenyl)acrylic acid methyl ester,
2-Propenoic acid, 3-[3-[(phenylaMino)sulfonyl]phenyl]-, Methyl ester, (2E)-,
412268-99-6,
SCHEMBL1402831,
BCP13888,
MFCD20526565,
AKOS025405097,
ZINC116082207,
AS-40749,
CS-0035714,
methyl (E)-3-(3-(N-phenylsulfamoyl)phenyl)acrylate,
methyl (2E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoate,
Methyl (2E)-3-(3-[(phenylaMino)sulfonyl]phenyl)prop-2-enoate,
methyl (E)-3-[3-(phenylsulfamoyl)phenyl]prop-2-enoate,
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| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 317.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.359g/mol |
| Monoisotopic Mass | 317.072g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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