2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C15H15ClN2O3S — CID 3970972

IUPAC2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
InChIKeyITMKYTFEDWQHSR-UHFFFAOYSA-N
MW338.82 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 3970972) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID3970972
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
InChIKeyITMKYTFEDWQHSR-UHFFFAOYSA-N
XLogP1.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 3970972) is 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is ITMKYTFEDWQHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 338.82 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 3970972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).