N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide

C12H15F3N2O2S — CID 93453513

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2O2S/c13-7-5-6-10(12(15)11(7)14)20(18,19)17-9-4-2-1-3-8(9)16/h5-6,8-9,17H,1-4,16H2/t8-,9-/m1/s1
InChIKeyWFZQVMDEFCWGKH-RKDXNWHRSA-N
MW308.33 g/mol
LogP1.65
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 93453513) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
PubChem CID93453513
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2O2S/c13-7-5-6-10(12(15)11(7)14)20(18,19)17-9-4-2-1-3-8(9)16/h5-6,8-9,17H,1-4,16H2/t8-,9-/m1/s1
InChIKeyWFZQVMDEFCWGKH-RKDXNWHRSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
2-[(2,3,4-trifluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 71854613
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
CID 63258670
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102
N-(2-aminocyclohexyl)-4-chloro-2-nitrobenzenesulfonamide
CID 61037370
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
N-(2-aminocyclohexyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82844852
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
CID 63252482
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068837

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide (CID 93453513) is N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide is N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is WFZQVMDEFCWGKH-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-7-5-6-10(12(15)11(7)14)20(18,19)17-9-4-2-1-3-8(9)16/h5-6,8-9,17H,1-4,16H2/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 308.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 93453513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).