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

C14H20FNO3S — CID 7343981

IUPAC5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C14H20FNO3S/c1-10-5-3-4-6-12(10)16-20(17,18)14-9-11(15)7-8-13(14)19-2/h7-10,12,16H,3-6H2,1-2H3/t10-,12+/m0/s1
InChIKeyYTPFRTYSEJJDOZ-CMPLNLGQSA-N
MW301.38 g/mol
LogP2.69
Rot. Bonds4

About 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 7343981) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID7343981
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C14H20FNO3S/c1-10-5-3-4-6-12(10)16-20(17,18)14-9-11(15)7-8-13(14)19-2/h7-10,12,16H,3-6H2,1-2H3/t10-,12+/m0/s1
InChIKeyYTPFRTYSEJJDOZ-CMPLNLGQSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 95196113
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide (CID 7343981) is 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is YTPFRTYSEJJDOZ-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-5-3-4-6-12(10)16-20(17,18)14-9-11(15)7-8-13(14)19-2/h7-10,12,16H,3-6H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 7343981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).