3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide

C13H18FNO3S — CID 102635668

IUPAC3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO3S/c1-15(12-7-2-3-8-13(12)16)19(17,18)11-6-4-5-10(14)9-11/h4-6,9,12-13,16H,2-3,7-8H2,1H3
InChIKeyJRYRAGZVKNPADW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.75
Rot. Bonds3

About 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide

3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 102635668) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
PubChem CID102635668
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO3S/c1-15(12-7-2-3-8-13(12)16)19(17,18)11-6-4-5-10(14)9-11/h4-6,9,12-13,16H,2-3,7-8H2,1H3
InChIKeyJRYRAGZVKNPADW-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 102635778
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 98771871
N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
CID 124758353
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide
CID 110127281
2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635648
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
N-(2-hydroxycyclohexyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 102632751
3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102632222

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide (CID 102635668) is 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide is CN(C1CCCCC1O)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is JRYRAGZVKNPADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-15(12-7-2-3-8-13(12)16)19(17,18)11-6-4-5-10(14)9-11/h4-6,9,12-13,16H,2-3,7-8H2,1H3.
What are the key properties of 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102635668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).