3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide

C20H17ClN2O5S2 — CID 70115356

IUPAC3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17ClN2O5S2/c1-29(25,26)19-8-3-2-7-18(19)22-20(24)14-5-4-6-17(13-14)30(27,28)23-16-11-9-15(21)10-12-16/h2-13,23H,1H3,(H,22,24)
InChIKeyAKNDZIYIIORJDA-UHFFFAOYSA-N
MW464.95 g/mol
LogP3.80
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide

3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide (PubChem CID 70115356) has the molecular formula C20H17ClN2O5S2 and a molecular weight of 464.95 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
PubChem CID70115356
Molecular FormulaC20H17ClN2O5S2
Molecular Weight464.95 g/mol
Exact Mass464.03
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17ClN2O5S2/c1-29(25,26)19-8-3-2-7-18(19)22-20(24)14-5-4-6-17(13-14)30(27,28)23-16-11-9-15(21)10-12-16/h2-13,23H,1H3,(H,22,24)
InChIKeyAKNDZIYIIORJDA-UHFFFAOYSA-N
XLogP3.80
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
3-[(4-chlorophenyl)sulfamoyl]-N-(2,6-dichlorophenyl)benzamide
CID 2308611
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
N-(4-chlorophenyl)-3-[[(2-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642847
2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10296361
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(4-chlorophenyl)-3-[[(3-fluorobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24642831
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide (CID 70115356) is 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide?
The InChIKey is AKNDZIYIIORJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5S2/c1-29(25,26)19-8-3-2-7-18(19)22-20(24)14-5-4-6-17(13-14)30(27,28)23-16-11-9-15(21)10-12-16/h2-13,23H,1H3,(H,22,24).
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide?
3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide has a molecular weight of 464.95 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfamoyl]-N-(2-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 70115356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).