N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C21H19ClN2O4S — CID 18291284

IUPACN-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-28-19-10-8-18(9-11-19)24-29(26,27)20-7-3-5-16(13-20)21(25)23-14-15-4-2-6-17(22)12-15/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyZWEWBGVYMKDMMD-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.08
Rot. Bonds7

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

N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 18291284) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID18291284
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H19ClN2O4S/c1-28-19-10-8-18(9-11-19)24-29(26,27)20-7-3-5-16(13-20)21(25)23-14-15-4-2-6-17(22)12-15/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyZWEWBGVYMKDMMD-UHFFFAOYSA-N
XLogP4.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17486112
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 46592550
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 18291284) is N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is ZWEWBGVYMKDMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-28-19-10-8-18(9-11-19)24-29(26,27)20-7-3-5-16(13-20)21(25)23-14-15-4-2-6-17(22)12-15/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 430.91 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 18291284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).