2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C21H19ClN2O3S — CID 4881406

IUPAC2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-24(19-7-3-2-4-8-19)28(26,27)20-9-5-6-18(15-20)23-21(25)14-16-10-12-17(22)13-11-16/h2-13,15H,14H2,1H3,(H,23,25)
InChIKeyNKEVVQZGALJPEF-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4881406) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID4881406
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-24(19-7-3-2-4-8-19)28(26,27)20-9-5-6-18(15-20)23-21(25)14-16-10-12-17(22)13-11-16/h2-13,15H,14H2,1H3,(H,23,25)
InChIKeyNKEVVQZGALJPEF-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 4881406) is 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is NKEVVQZGALJPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-24(19-7-3-2-4-8-19)28(26,27)20-9-5-6-18(15-20)23-21(25)14-16-10-12-17(22)13-11-16/h2-13,15H,14H2,1H3,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 414.91 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4881406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).