3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine

C12H15F2NO2S — CID 64716725

IUPAC3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine
SMILESNC1CCCC(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C12H15F2NO2S/c13-8-4-5-11(14)12(6-8)18(16,17)10-3-1-2-9(15)7-10/h4-6,9-10H,1-3,7,15H2
InChIKeyOCTJHTICZWMGRF-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.01
Rot. Bonds2

About 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine

3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine (PubChem CID 64716725) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine
PubChem CID64716725
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine
SMILESNC1CCCC(S(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C12H15F2NO2S/c13-8-4-5-11(14)12(6-8)18(16,17)10-3-1-2-9(15)7-10/h4-6,9-10H,1-3,7,15H2
InChIKeyOCTJHTICZWMGRF-UHFFFAOYSA-N
XLogP2.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
CID 81183010
2-(3-ethylcyclohexyl)sulfonyl-4-fluoroaniline
CID 81184032
2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine
CID 64645336
3-(4-fluorophenyl)sulfonylcyclopentan-1-amine
CID 64724253
2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64645531
1-(2,5-difluorophenyl)sulfonylpiperidine-3-sulfonamide
CID 61132459
(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119381535
N-[(3-chlorocyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 106135987
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 63043413
2-(2,5-difluorophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645332
(1R)-3-(4,6-dihydrofuro[3,4-c]pyrrol-5-yl)cyclohexan-1-amine;1,2,4-trifluorobenzene
CID 143517588

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine (CID 64716725) is 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine is NC1CCCC(S(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine?
The InChIKey is OCTJHTICZWMGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c13-8-4-5-11(14)12(6-8)18(16,17)10-3-1-2-9(15)7-10/h4-6,9-10H,1-3,7,15H2.
What are the key properties of 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine?
3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine has a molecular weight of 275.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64716725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).