3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide

C11H14ClFN2O2S — CID 103050502

IUPAC3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H14ClFN2O2S/c1-2-15(8-3-4-8)18(16,17)10-6-7(12)5-9(14)11(10)13/h5-6,8H,2-4,14H2,1H3
InChIKeyAGBPCNCGXXZRIM-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 103050502) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID103050502
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H14ClFN2O2S/c1-2-15(8-3-4-8)18(16,17)10-6-7(12)5-9(14)11(10)13/h5-6,8H,2-4,14H2,1H3
InChIKeyAGBPCNCGXXZRIM-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-N-cyclopropyl-N-ethyl-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

3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564
3-amino-5-chloro-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 103050830
3-amino-2-bromo-5-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 62955123
3-amino-5-chloro-N-ethyl-2-fluoro-N-prop-2-ynylbenzenesulfonamide
CID 103051884
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103187486
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645694
3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
CID 107343147
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 79186964
N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 79113661
5-chloro-3-(3-ethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 103052019
3-amino-5-chloro-2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 103051417
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide (CID 103050502) is 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide is CCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is AGBPCNCGXXZRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c1-2-15(8-3-4-8)18(16,17)10-6-7(12)5-9(14)11(10)13/h5-6,8H,2-4,14H2,1H3.
What are the key properties of 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 292.76 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103050502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).