4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide

C13H18FNO2S — CID 801295

IUPAC4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
SMILESC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h6-10,13,15H,2-5H2,1H3/t10-,13+/m1/s1
InChIKeyVPDNQDVSJBCXHF-MFKMUULPSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds3

About 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide

4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 801295) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID801295
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
SMILESC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h6-10,13,15H,2-5H2,1H3/t10-,13+/m1/s1
InChIKeyVPDNQDVSJBCXHF-MFKMUULPSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64907614
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826095
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide (CID 801295) is 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide is C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is VPDNQDVSJBCXHF-MFKMUULPSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h6-10,13,15H,2-5H2,1H3/t10-,13+/m1/s1.
What are the key properties of 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide?
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 801295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).