N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide

C20H21Cl2FN2O3S — CID 4190481

IUPACN-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H21Cl2FN2O3S/c1-12-4-2-3-5-19(12)25-29(27,28)16-6-7-18(23)17(11-16)20(26)24-15-9-13(21)8-14(22)10-15/h6-12,19,25H,2-5H2,1H3,(H,24,26)
InChIKeyLPNOAOAEQNXILY-UHFFFAOYSA-N
MW459.37 g/mol
LogP5.24
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide

N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide (PubChem CID 4190481) has the molecular formula C20H21Cl2FN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
PubChem CID4190481
Molecular FormulaC20H21Cl2FN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.06
IUPAC NameN-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H21Cl2FN2O3S/c1-12-4-2-3-5-19(12)25-29(27,28)16-6-7-18(23)17(11-16)20(26)24-15-9-13(21)8-14(22)10-15/h6-12,19,25H,2-5H2,1H3,(H,24,26)
InChIKeyLPNOAOAEQNXILY-UHFFFAOYSA-N
XLogP5.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopentylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190475
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
2-fluoro-N-(2-methoxyphenyl)-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 15995932
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
5-(cyclopentylsulfamoyl)-2-fluoro-N-(3-methylphenyl)benzamide
CID 5157745
5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
CID 119045142
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426
5-(cyclopentylsulfamoyl)-N-(3,4-dimethylphenyl)-2-fluorobenzamide
CID 4643786
2-chloro-5-[(2-methoxycyclopentyl)sulfamoyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130254599
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide (CID 4190481) is N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide is CC1CCCCC1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide?
The InChIKey is LPNOAOAEQNXILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O3S/c1-12-4-2-3-5-19(12)25-29(27,28)16-6-7-18(23)17(11-16)20(26)24-15-9-13(21)8-14(22)10-15/h6-12,19,25H,2-5H2,1H3,(H,24,26).
What are the key properties of N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide?
N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide has a molecular weight of 459.37 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzamide is sourced from PubChem (CID 4190481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).