4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide

C20H17ClN2O4S — CID 1102140

IUPAC4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C20H17ClN2O4S/c1-27-17-10-8-16(9-11-17)23-28(25,26)19-13-14(7-12-18(19)21)20(24)22-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24)
InChIKeyIZCRGZGSLGJXGI-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.40
Rot. Bonds6

About 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide

4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide (PubChem CID 1102140) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
PubChem CID1102140
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C20H17ClN2O4S/c1-27-17-10-8-16(9-11-17)23-28(25,26)19-13-14(7-12-18(19)21)20(24)22-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24)
InChIKeyIZCRGZGSLGJXGI-UHFFFAOYSA-N
XLogP4.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 24549447
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
4-chloro-3-(methylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 9413651
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide?
The IUPAC name of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide (CID 1102140) is 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide?
The InChIKey is IZCRGZGSLGJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-27-17-10-8-16(9-11-17)23-28(25,26)19-13-14(7-12-18(19)21)20(24)22-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24).
What are the key properties of 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide?
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide has a molecular weight of 416.89 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide is sourced from PubChem (CID 1102140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).