3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide

C16H22FNO3S — CID 136546514

IUPAC3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide
SMILESCc1cc(F)cc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H22FNO3S/c1-11-7-13(9-14(17)8-11)16(19)18-15-5-3-12(4-6-15)10-22(2,20)21/h7-9,12,15H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyLOKPDKCWEHHNFZ-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.47
Rot. Bonds4

About 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide

3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide (PubChem CID 136546514) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide
PubChem CID136546514
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide
SMILESCc1cc(F)cc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H22FNO3S/c1-11-7-13(9-14(17)8-11)16(19)18-15-5-3-12(4-6-15)10-22(2,20)21/h7-9,12,15H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyLOKPDKCWEHHNFZ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
3-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 99618356
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
CID 91483552
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide?
The IUPAC name of 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide (CID 136546514) is 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide is Cc1cc(F)cc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide?
The InChIKey is LOKPDKCWEHHNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3S/c1-11-7-13(9-14(17)8-11)16(19)18-15-5-3-12(4-6-15)10-22(2,20)21/h7-9,12,15H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide?
3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide is sourced from PubChem (CID 136546514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).