N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide

C20H22ClFN2O3S — CID 4129261

IUPACN-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2F)cc1Cl
InChIInChI=1S/C20H22ClFN2O3S/c1-13-7-8-15(11-18(13)21)23-20(25)17-12-16(9-10-19(17)22)28(26,27)24-14-5-3-2-4-6-14/h7-12,14,24H,2-6H2,1H3,(H,23,25)
InChIKeyRUZVFKLVTXSXFS-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.65
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide

N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide (PubChem CID 4129261) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
PubChem CID4129261
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2F)cc1Cl
InChIInChI=1S/C20H22ClFN2O3S/c1-13-7-8-15(11-18(13)21)23-20(25)17-12-16(9-10-19(17)22)28(26,27)24-14-5-3-2-4-6-14/h7-12,14,24H,2-6H2,1H3,(H,23,25)
InChIKeyRUZVFKLVTXSXFS-UHFFFAOYSA-N
XLogP4.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylphenyl)benzamide
CID 1521223
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide
CID 2704881
5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 3602784
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 4115155
3-(N-(tert-butyl)sulfamoyl)-N-(4-fluorophenyl)benzamide
CID 8744874

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide (CID 4129261) is N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide?
The InChIKey is RUZVFKLVTXSXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-13-7-8-15(11-18(13)21)23-20(25)17-12-16(9-10-19(17)22)28(26,27)24-14-5-3-2-4-6-14/h7-12,14,24H,2-6H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide?
N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide has a molecular weight of 424.93 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 4129261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).