N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide

C13H17F3N2O2S — CID 63258670

IUPACN-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
SMILESNC1CCCCCC1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H17F3N2O2S/c14-8-6-9(15)13(10(16)7-8)21(19,20)18-12-5-3-1-2-4-11(12)17/h6-7,11-12,18H,1-5,17H2
InChIKeyZEDZHMWIRLZIRP-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.04
Rot. Bonds3

About N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide

N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide (PubChem CID 63258670) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
PubChem CID63258670
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
SMILESNC1CCCCCC1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H17F3N2O2S/c14-8-6-9(15)13(10(16)7-8)21(19,20)18-12-5-3-1-2-4-11(12)17/h6-7,11-12,18H,1-5,17H2
InChIKeyZEDZHMWIRLZIRP-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
CID 129368623
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
CID 93453493
N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
CID 93453513
N-(2-aminocyclohexyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82844852
N-(2-aminocyclopentyl)-5-fluoropyridine-3-sulfonamide
CID 63252311
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817397
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826074
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide (CID 63258670) is N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide is NC1CCCCCC1NS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is ZEDZHMWIRLZIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-8-6-9(15)13(10(16)7-8)21(19,20)18-12-5-3-1-2-4-11(12)17/h6-7,11-12,18H,1-5,17H2.
What are the key properties of N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide?
N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 63258670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).