3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide

C20H17ClN2O3S — CID 3340869

IUPAC3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-7-8-15(20(24)22-17-5-3-2-4-6-17)13-19(14)27(25,26)23-18-11-9-16(21)10-12-18/h2-13,23H,1H3,(H,22,24)
InChIKeyASVSPQOKZMBWCH-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.70
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide

3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide (PubChem CID 3340869) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
PubChem CID3340869
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-7-8-15(20(24)22-17-5-3-2-4-6-17)13-19(14)27(25,26)23-18-11-9-16(21)10-12-18/h2-13,23H,1H3,(H,22,24)
InChIKeyASVSPQOKZMBWCH-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1252514
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide (CID 3340869) is 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide?
The InChIKey is ASVSPQOKZMBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-14-7-8-15(20(24)22-17-5-3-2-4-6-17)13-19(14)27(25,26)23-18-11-9-16(21)10-12-18/h2-13,23H,1H3,(H,22,24).
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide?
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide has a molecular weight of 400.89 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 3340869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).