2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide

C22H21ClN2O3S — CID 56523646

IUPAC2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21ClN2O3S/c1-22(16-9-5-3-6-10-16,17-11-7-4-8-12-17)25-21(26)19-15-18(13-14-20(19)23)29(27,28)24-2/h3-15,24H,1-2H3,(H,25,26)
InChIKeyNGCOMNBGVFOPMH-UHFFFAOYSA-N
MW428.94 g/mol
LogP3.94
Rot. Bonds6

About 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide

2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide (PubChem CID 56523646) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide
PubChem CID56523646
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21ClN2O3S/c1-22(16-9-5-3-6-10-16,17-11-7-4-8-12-17)25-21(26)19-15-18(13-14-20(19)23)29(27,28)24-2/h3-15,24H,1-2H3,(H,25,26)
InChIKeyNGCOMNBGVFOPMH-UHFFFAOYSA-N
XLogP3.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
CID 9442250
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55945095
3,6-dichloro-N-(1,1-diphenylethyl)pyridine-2-carboxamide
CID 56522893
3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091765
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide (CID 56523646) is 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide?
The InChIKey is NGCOMNBGVFOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-22(16-9-5-3-6-10-16,17-11-7-4-8-12-17)25-21(26)19-15-18(13-14-20(19)23)29(27,28)24-2/h3-15,24H,1-2H3,(H,25,26).
What are the key properties of 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide?
2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide has a molecular weight of 428.94 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-diphenylethyl)-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 56523646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).