2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide

C15H19ClFNO3S — CID 96508504

IUPAC2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C15H19ClFNO3S/c1-18(13-5-3-4-6-14(13)22(2,20)21)15(19)11-8-7-10(17)9-12(11)16/h7-9,13-14H,3-6H2,1-2H3/t13-,14+/m0/s1
InChIKeyCUEVKIDBMBWUKA-UONOGXRCSA-N
MW347.84 g/mol
LogP2.91
Rot. Bonds3

About 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide

2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide (PubChem CID 96508504) has the molecular formula C15H19ClFNO3S and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
PubChem CID96508504
Molecular FormulaC15H19ClFNO3S
Molecular Weight347.84 g/mol
Exact Mass347.08
IUPAC Name2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
SMILESCN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C15H19ClFNO3S/c1-18(13-5-3-4-6-14(13)22(2,20)21)15(19)11-8-7-10(17)9-12(11)16/h7-9,13-14H,3-6H2,1-2H3/t13-,14+/m0/s1
InChIKeyCUEVKIDBMBWUKA-UONOGXRCSA-N
XLogP2.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide
CID 96510560
5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 120635998
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
(E)-3-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)prop-2-enamide
CID 75407723
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
4-fluoro-2-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103887475
N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide
CID 71969741
2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid
CID 60826007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide (CID 96508504) is 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide is CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1S(C)(=O)=O.
What is the InChIKey of 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide?
The InChIKey is CUEVKIDBMBWUKA-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19ClFNO3S/c1-18(13-5-3-4-6-14(13)22(2,20)21)15(19)11-8-7-10(17)9-12(11)16/h7-9,13-14H,3-6H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide?
2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide has a molecular weight of 347.84 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide is sourced from PubChem (CID 96508504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).