2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide

C21H19ClN2O4S — CID 1105127

IUPAC2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-14-4-3-5-16(12-14)23-21(25)19-13-18(10-11-20(19)22)29(26,27)24-15-6-8-17(28-2)9-7-15/h3-13,24H,1-2H3,(H,23,25)
InChIKeyOLVIHIKUEMCMIK-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.71
Rot. Bonds6

About 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide

2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide (PubChem CID 1105127) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
PubChem CID1105127
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC Name2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-14-4-3-5-16(12-14)23-21(25)19-13-18(10-11-20(19)22)29(26,27)24-15-6-8-17(28-2)9-7-15/h3-13,24H,1-2H3,(H,23,25)
InChIKeyOLVIHIKUEMCMIK-UHFFFAOYSA-N
XLogP4.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide (CID 1105127) is 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
The InChIKey is OLVIHIKUEMCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-14-4-3-5-16(12-14)23-21(25)19-13-18(10-11-20(19)22)29(26,27)24-15-6-8-17(28-2)9-7-15/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide?
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide has a molecular weight of 430.91 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 1105127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).