4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide

C12H17FN2O2S — CID 113474881

IUPAC4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(N)cc1F)C1CC1
InChIInChI=1S/C12H17FN2O2S/c1-8(9-2-3-9)7-15-18(16,17)12-5-4-10(14)6-11(12)13/h4-6,8-9,15H,2-3,7,14H2,1H3
InChIKeyJJVLXCFAWZLPAF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.73
Rot. Bonds5

About 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide

4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide (PubChem CID 113474881) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
PubChem CID113474881
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(N)cc1F)C1CC1
InChIInChI=1S/C12H17FN2O2S/c1-8(9-2-3-9)7-15-18(16,17)12-5-4-10(14)6-11(12)13/h4-6,8-9,15H,2-3,7,14H2,1H3
InChIKeyJJVLXCFAWZLPAF-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide 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

4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113474885
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 114626150
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254
5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
CID 115591315
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
3-amino-N-(2,2-dicyclopropylethyl)-2,4-difluorobenzenesulfonamide
CID 107343649
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 65206649

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide (CID 113474881) is 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide is CC(CNS(=O)(=O)c1ccc(N)cc1F)C1CC1.
What is the InChIKey of 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide?
The InChIKey is JJVLXCFAWZLPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-8(9-2-3-9)7-15-18(16,17)12-5-4-10(14)6-11(12)13/h4-6,8-9,15H,2-3,7,14H2,1H3.
What are the key properties of 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide?
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 113474881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).