N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide

C13H18FNO2S — CID 85434978

IUPACN-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2F)cc1
InChIInChI=1S/C13H18FNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5H2,1H3
InChIKeyDPNVWNWVWOOHRL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.55
Rot. Bonds3

About N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide

N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide (PubChem CID 85434978) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
PubChem CID85434978
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2F)cc1
InChIInChI=1S/C13H18FNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5H2,1H3
InChIKeyDPNVWNWVWOOHRL-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide (CID 85434978) is N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCC2F)cc1.
What is the InChIKey of N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide?
The InChIKey is DPNVWNWVWOOHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5H2,1H3.
What are the key properties of N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide?
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 85434978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).