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

C22H21ClN2O4S2 — CID 26642387

IUPAC2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(SC)ccc3Cl)ccc2C)cc1
InChIInChI=1S/C22H21ClN2O4S2/c1-14-4-5-16(24-22(26)19-13-18(30-3)10-11-20(19)23)12-21(14)31(27,28)25-15-6-8-17(29-2)9-7-15/h4-13,25H,1-3H3,(H,24,26)
InChIKeyJAUJOEQANRCFSG-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.43
Rot. Bonds7

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

2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide (PubChem CID 26642387) has the molecular formula C22H21ClN2O4S2 and a molecular weight of 477.01 g/mol. Its IUPAC name is 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
PubChem CID26642387
Molecular FormulaC22H21ClN2O4S2
Molecular Weight477.01 g/mol
Exact Mass476.06
IUPAC Name2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(SC)ccc3Cl)ccc2C)cc1
InChIInChI=1S/C22H21ClN2O4S2/c1-14-4-5-16(24-22(26)19-13-18(30-3)10-11-20(19)23)12-21(14)31(27,28)25-15-6-8-17(29-2)9-7-15/h4-13,25H,1-3H3,(H,24,26)
InChIKeyJAUJOEQANRCFSG-UHFFFAOYSA-N
XLogP5.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148827
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
CID 24637119
3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26642074
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 26642328
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26720987
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide
CID 26774130
2-(cyanomethylsulfanyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 36679992
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide (CID 26642387) is 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(SC)ccc3Cl)ccc2C)cc1.
What is the InChIKey of 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide?
The InChIKey is JAUJOEQANRCFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S2/c1-14-4-5-16(24-22(26)19-13-18(30-3)10-11-20(19)23)12-21(14)31(27,28)25-15-6-8-17(29-2)9-7-15/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide?
2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide has a molecular weight of 477.01 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 26642387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).