2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide

C16H22FNO3S — CID 56797945

IUPAC2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO3S/c1-11-4-3-5-14(10-11)18-16(19)12(2)22(20,21)15-8-6-13(17)7-9-15/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyMLWUXTKBYJYWEH-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide

2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide (PubChem CID 56797945) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide
PubChem CID56797945
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO3S/c1-11-4-3-5-14(10-11)18-16(19)12(2)22(20,21)15-8-6-13(17)7-9-15/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyMLWUXTKBYJYWEH-UHFFFAOYSA-N
XLogP2.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide
CID 94783911
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
CID 94652953
(E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide
CID 100850116
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
2-(2-amino-5-fluorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 81193113
2-(4-fluorophenyl)sulfonyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492871
2-(4-amino-3-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81187428
2-(3-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 47218027
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
2-[4-[4-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 133293489
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide (CID 56797945) is 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide is CC1CCCC(NC(=O)C(C)S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide?
The InChIKey is MLWUXTKBYJYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3S/c1-11-4-3-5-14(10-11)18-16(19)12(2)22(20,21)15-8-6-13(17)7-9-15/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide?
2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide has a molecular weight of 327.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide is sourced from PubChem (CID 56797945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).