N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide

C9H10FN3O4S — CID 43596899

IUPACN-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10FN3O4S/c10-6-2-1-5(3-9(6)13(14)15)18(16,17)12-8-4-7(8)11/h1-3,7-8,12H,4,11H2
InChIKeyWRXAEXZHRJYDEO-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.11
Rot. Bonds4

About N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide

N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide (PubChem CID 43596899) has the molecular formula C9H10FN3O4S and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide
PubChem CID43596899
Molecular FormulaC9H10FN3O4S
Molecular Weight275.26 g/mol
Exact Mass275.04
IUPAC NameN-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide
SMILESNC1CC1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10FN3O4S/c10-6-2-1-5(3-9(6)13(14)15)18(16,17)12-8-4-7(8)11/h1-3,7-8,12H,4,11H2
InChIKeyWRXAEXZHRJYDEO-UHFFFAOYSA-N
XLogP0.11
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminocyclopropyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43596900
N-(2-aminocyclohexyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82844852
N-(2-aminocyclopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43596895
N-(2-aminocyclopropyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43596896
N-(2-aminocyclopropyl)-3-nitrobenzenesulfonamide
CID 43596907
4-fluoro-N-(2-methylpiperidin-3-yl)-3-nitrobenzenesulfonamide
CID 114695261
N-(2-bromoethyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 43133675
1-(4-fluoro-3-nitrophenyl)sulfonylazetidin-3-amine
CID 65244416
4-fluoro-3-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90101695
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 4793013
N-(3-aminocyclobutyl)-4-chloro-3-nitrobenzenesulfonamide
CID 43597673
N-(2-aminocycloheptyl)-3,4-difluorobenzenesulfonamide
CID 63258756

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide (CID 43596899) is N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide is NC1CC1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide?
The InChIKey is WRXAEXZHRJYDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O4S/c10-6-2-1-5(3-9(6)13(14)15)18(16,17)12-8-4-7(8)11/h1-3,7-8,12H,4,11H2.
What are the key properties of N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide?
N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide has a molecular weight of 275.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-4-fluoro-3-nitrobenzenesulfonamide is sourced from PubChem (CID 43596899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).