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

C20H22ClFN2O3S — CID 3452162

IUPACN-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F
InChIInChI=1S/C20H22ClFN2O3S/c1-13-17(21)8-5-9-19(13)23-20(25)16-12-15(10-11-18(16)22)28(26,27)24-14-6-3-2-4-7-14/h5,8-12,14,24H,2-4,6-7H2,1H3,(H,23,25)
InChIKeyFMMXVNHLOAXHQA-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.65
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide (PubChem CID 3452162) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
PubChem CID3452162
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F
InChIInChI=1S/C20H22ClFN2O3S/c1-13-17(21)8-5-9-19(13)23-20(25)16-12-15(10-11-18(16)22)28(26,27)24-14-6-3-2-4-7-14/h5,8-12,14,24H,2-4,6-7H2,1H3,(H,23,25)
InChIKeyFMMXVNHLOAXHQA-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

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

5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 4102001
5-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 4685317
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474
5-(cyclopentylsulfamoyl)-2-fluoro-N-(3-methylphenyl)benzamide
CID 5157745
5-(cyclopentylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190475
N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide
CID 25046549
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426
5-(cyclopentylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 4643786
N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 15994437
5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
CID 119045142
4-chloro-N-[4-(cyclohexylsulfamoyl)-2-fluorophenyl]benzamide
CID 18892581

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide (CID 3452162) is N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide is Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide?
The InChIKey is FMMXVNHLOAXHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-13-17(21)8-5-9-19(13)23-20(25)16-12-15(10-11-18(16)22)28(26,27)24-14-6-3-2-4-7-14/h5,8-12,14,24H,2-4,6-7H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide?
N-(3-chloro-2-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-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 3452162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).