N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide

C12H17F2N3O2S — CID 81314037

IUPACN-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide
SMILESNc1cc(F)cc(F)c1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H17F2N3O2S/c13-9-7-10(14)12(11(15)8-9)16-20(18,19)17-5-3-1-2-4-6-17/h7-8,16H,1-6,15H2
InChIKeyVGVCLXKBKAWEFH-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.08
Rot. Bonds3

About N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide

N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide (PubChem CID 81314037) has the molecular formula C12H17F2N3O2S and a molecular weight of 305.35 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide
PubChem CID81314037
Molecular FormulaC12H17F2N3O2S
Molecular Weight305.35 g/mol
Exact Mass305.10
IUPAC NameN-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide
SMILESNc1cc(F)cc(F)c1NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H17F2N3O2S/c13-9-7-10(14)12(11(15)8-9)16-20(18,19)17-5-3-1-2-4-6-17/h7-8,16H,1-6,15H2
InChIKeyVGVCLXKBKAWEFH-UHFFFAOYSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide
CID 43550963
N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 81314823
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
3-fluoro-5-methyl-4-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 167871978
N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
CID 81313587
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 107592686
N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
CID 81305247
N-(4-fluoro-2-iodophenyl)piperidine-1-sulfonamide
CID 79766739
N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
CID 62084795
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
N-(2-amino-4,6-difluorophenyl)thiophene-2-sulfonamide
CID 81314553

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide (CID 81314037) is N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide is Nc1cc(F)cc(F)c1NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide?
The InChIKey is VGVCLXKBKAWEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2S/c13-9-7-10(14)12(11(15)8-9)16-20(18,19)17-5-3-1-2-4-6-17/h7-8,16H,1-6,15H2.
What are the key properties of N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide?
N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide has a molecular weight of 305.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide is sourced from PubChem (CID 81314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).