2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine

C13H18FNO2S — CID 64639422

IUPAC2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-15-12-4-2-3-5-13(12)18(16,17)11-8-6-10(14)7-9-11/h6-9,12-13,15H,2-5H2,1H3
InChIKeyQJAVGWSJDDGEMP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine

2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine (PubChem CID 64639422) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
PubChem CID64639422
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-15-12-4-2-3-5-13(12)18(16,17)11-8-6-10(14)7-9-11/h6-9,12-13,15H,2-5H2,1H3
InChIKeyQJAVGWSJDDGEMP-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638589
2-(benzenesulfonyl)-N-methylcyclooctan-1-amine
CID 62917384
3-(4-fluorophenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
CID 64903866
2-(2,4-difluorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64645052
N-methyl-2-(4-propan-2-ylphenyl)sulfonylcyclopentan-1-amine
CID 64639192
N-methyl-2-naphthalen-2-ylsulfonylcyclopentan-1-amine
CID 64647317
2-(2-fluorophenyl)sulfonyl-N-methylcycloheptan-1-amine
CID 64645152
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-methyl-2-[2-(trifluoromethyl)phenyl]sulfonylcyclohexan-1-amine
CID 106584789
2-(2-chlorophenyl)sulfonyl-N-methylcyclohexan-1-amine
CID 64638401
(3S,4R)-N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-1,1-dioxothiolan-3-amine
CID 20897862

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine (CID 64639422) is 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine is CNC1CCCCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
The InChIKey is QJAVGWSJDDGEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-15-12-4-2-3-5-13(12)18(16,17)11-8-6-10(14)7-9-11/h6-9,12-13,15H,2-5H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine?
2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64639422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).