4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide

C14H20FNO3S — CID 7389210

IUPAC4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3/t10-,13+/m1/s1
InChIKeyBLNRCUKUAHWMHL-MFKMUULPSA-N
MW301.38 g/mol
LogP2.69
Rot. Bonds4

About 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide

4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 7389210) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID7389210
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3/t10-,13+/m1/s1
InChIKeyBLNRCUKUAHWMHL-MFKMUULPSA-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

3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
2-fluoro-N-(2-methoxyphenyl)-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 15995932
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
CID 95864987
4-[(2-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958130
4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
CID 16645075
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide (CID 7389210) is 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide is COc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is BLNRCUKUAHWMHL-MFKMUULPSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-5-3-4-6-13(10)16-20(17,18)11-7-8-12(15)14(9-11)19-2/h7-10,13,16H,3-6H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide?
4-fluoro-3-methoxy-N-[(1S,2R)-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 4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 7389210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).