N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide

C13H17ClFNO2S — CID 114148380

IUPACN-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC(Cl)CC1)c1cccc(F)c1
InChIInChI=1S/C13H17ClFNO2S/c14-11-6-4-10(5-7-11)9-16-19(17,18)13-3-1-2-12(15)8-13/h1-3,8,10-11,16H,4-7,9H2
InChIKeyQLODKKQPMVQZQQ-UHFFFAOYSA-N
MW305.80 g/mol
LogP2.90
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide

N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 114148380) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
PubChem CID114148380
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC(Cl)CC1)c1cccc(F)c1
InChIInChI=1S/C13H17ClFNO2S/c14-11-6-4-10(5-7-11)9-16-19(17,18)13-3-1-2-12(15)8-13/h1-3,8,10-11,16H,4-7,9H2
InChIKeyQLODKKQPMVQZQQ-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide 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-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106136234
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136241
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide (CID 114148380) is N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCC1CCC(Cl)CC1)c1cccc(F)c1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is QLODKKQPMVQZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c14-11-6-4-10(5-7-11)9-16-19(17,18)13-3-1-2-12(15)8-13/h1-3,8,10-11,16H,4-7,9H2.
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide?
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 305.80 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 114148380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).