N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide

C13H18F2N2O2S — CID 63258756

IUPACN-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
SMILESNC1CCCCCC1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2S/c14-10-7-6-9(8-11(10)15)20(18,19)17-13-5-3-1-2-4-12(13)16/h6-8,12-13,17H,1-5,16H2
InChIKeyZVHZNYKGODKSFE-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.90
Rot. Bonds3

About N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide

N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide (PubChem CID 63258756) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
PubChem CID63258756
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC NameN-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
SMILESNC1CCCCCC1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2S/c14-10-7-6-9(8-11(10)15)20(18,19)17-13-5-3-1-2-4-12(13)16/h6-8,12-13,17H,1-5,16H2
InChIKeyZVHZNYKGODKSFE-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82844852
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
CID 63258670
N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
CID 93453513
3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
CID 58915457
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
4-amino-3-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 82844106
N-[(1S,2S)-2-aminocyclohexyl]-3-(bromomethyl)benzenesulfonamide
CID 97168887

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide (CID 63258756) is N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide is NC1CCCCCC1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is ZVHZNYKGODKSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c14-10-7-6-9(8-11(10)15)20(18,19)17-13-5-3-1-2-4-12(13)16/h6-8,12-13,17H,1-5,16H2.
What are the key properties of N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide?
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 63258756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).