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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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).