2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide

C15H15ClN2O4S — CID 2193164

IUPAC2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(9-13(14)16)18-15(19)10-17-23(20,21)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyJCGSMUZKFDPJLR-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.27
Rot. Bonds6

About 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide

2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 2193164) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID2193164
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(9-13(14)16)18-15(19)10-17-23(20,21)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)
InChIKeyJCGSMUZKFDPJLR-UHFFFAOYSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide (CID 2193164) is 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is JCGSMUZKFDPJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-22-14-8-7-11(9-13(14)16)18-15(19)10-17-23(20,21)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19).
What are the key properties of 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide?
2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 354.82 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 2193164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).