2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

C24H22ClFN2O3S — CID 41013446

IUPAC2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1
InChIInChI=1S/C24H22ClFN2O3S/c1-28(19-11-9-18(26)10-12-19)32(30,31)20-13-14-22(25)21(15-20)24(29)27-23(17-7-8-17)16-5-3-2-4-6-16/h2-6,9-15,17,23H,7-8H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyWFSWKLBDOGQGQJ-HSZRJFAPSA-N
MW472.97 g/mol
LogP5.19
Rot. Bonds7

About 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (PubChem CID 41013446) has the molecular formula C24H22ClFN2O3S and a molecular weight of 472.97 g/mol. Its IUPAC name is 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
PubChem CID41013446
Molecular FormulaC24H22ClFN2O3S
Molecular Weight472.97 g/mol
Exact Mass472.10
IUPAC Name2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1
InChIInChI=1S/C24H22ClFN2O3S/c1-28(19-11-9-18(26)10-12-19)32(30,31)20-13-14-22(25)21(15-20)24(29)27-23(17-7-8-17)16-5-3-2-4-6-16/h2-6,9-15,17,23H,7-8H2,1H3,(H,27,29)/t23-/m1/s1
InChIKeyWFSWKLBDOGQGQJ-HSZRJFAPSA-N
XLogP5.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.97
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238
2-chloro-N-(1-cyclopropylethyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17473386
2-chloro-N-[2-(cyclohexanecarbonylamino)ethyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55805861
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 55780312
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2124982
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
4-chloro-N-(4-fluorophenyl)-N-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 26535482
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855582
2-chloro-N-[(1R)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide (CID 41013446) is 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1.
What is the InChIKey of 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
The InChIKey is WFSWKLBDOGQGQJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22ClFN2O3S/c1-28(19-11-9-18(26)10-12-19)32(30,31)20-13-14-22(25)21(15-20)24(29)27-23(17-7-8-17)16-5-3-2-4-6-16/h2-6,9-15,17,23H,7-8H2,1H3,(H,27,29)/t23-/m1/s1.
What are the key properties of 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide?
2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide has a molecular weight of 472.97 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(S)-cyclopropyl(phenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 41013446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).