2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine

C14H19ClFNO2S — CID 64676122

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNO2S/c1-9-3-6-13(17-2)14(7-9)20(18,19)10-4-5-12(16)11(15)8-10/h4-5,8-9,13-14,17H,3,6-7H2,1-2H3
InChIKeyFAAFPBAXBMIAKP-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.03
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine

2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine (PubChem CID 64676122) has the molecular formula C14H19ClFNO2S and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
PubChem CID64676122
Molecular FormulaC14H19ClFNO2S
Molecular Weight319.83 g/mol
Exact Mass319.08
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)CC1S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFNO2S/c1-9-3-6-13(17-2)14(7-9)20(18,19)10-4-5-12(16)11(15)8-10/h4-5,8-9,13-14,17H,3,6-7H2,1-2H3
InChIKeyFAAFPBAXBMIAKP-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine 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

2-(4-methoxyphenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64647537
2-(3-chloro-4-fluorophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64674143
6-(3-chloro-4-fluorophenyl)sulfonyl-N,2,2-trimethylcyclohexan-1-amine
CID 79833106
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
N,4-dimethyl-2-(2-methylphenyl)sulfonylcyclohexan-1-amine
CID 64674992
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
2-(3-chloro-4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile
CID 64691826
2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
CID 79581885
2-(3,4-difluorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64645466
3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
CID 64903866
2-(4-chlorophenyl)sulfonyl-N,4,4-trimethylcyclohexan-1-amine
CID 64638997

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine (CID 64676122) is 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)CC1S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine?
The InChIKey is FAAFPBAXBMIAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2S/c1-9-3-6-13(17-2)14(7-9)20(18,19)10-4-5-12(16)11(15)8-10/h4-5,8-9,13-14,17H,3,6-7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine?
2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine has a molecular weight of 319.83 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfonyl-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64676122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).