N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide

C14H19FN2O3S — CID 65373979

IUPACN-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC2CCCCC2)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C14H19FN2O3S/c1-9-12(7-10(15)8-13(9)21(16,19)20)14(18)17-11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyWYKLSPGIUBPZPJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.84
Rot. Bonds3

About N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide

N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide (PubChem CID 65373979) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
PubChem CID65373979
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC2CCCCC2)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C14H19FN2O3S/c1-9-12(7-10(15)8-13(9)21(16,19)20)14(18)17-11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyWYKLSPGIUBPZPJ-UHFFFAOYSA-N
XLogP1.84
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65397012
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
N-cyclopentyl-2,4-dimethyl-5-sulfamoylbenzamide
CID 47469038
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373796
2-bromo-3-(cyclopentylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65367953
N-cyclohexyl-3,4-difluoro-2,5-dimethylbenzamide
CID 17067316
2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63931877
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
N-cyclohexyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65374556
N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 103465735

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide (CID 65373979) is N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide is Cc1c(C(=O)NC2CCCCC2)cc(F)cc1S(N)(=O)=O.
What is the InChIKey of N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The InChIKey is WYKLSPGIUBPZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-9-12(7-10(15)8-13(9)21(16,19)20)14(18)17-11-5-3-2-4-6-11/h7-8,11H,2-6H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide?
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65373979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).