4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide

C12H17FN2O2S — CID 82844725

IUPAC4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-8(6-9-2-3-9)15-18(16,17)10-4-5-12(14)11(13)7-10/h4-5,7-9,15H,2-3,6,14H2,1H3
InChIKeyBSUWUOLBEMJROC-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.87
Rot. Bonds5

About 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide

4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 82844725) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
PubChem CID82844725
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
SMILESCC(CC1CC1)NS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O2S/c1-8(6-9-2-3-9)15-18(16,17)10-4-5-12(14)11(13)7-10/h4-5,7-9,15H,2-3,6,14H2,1H3
InChIKeyBSUWUOLBEMJROC-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(1-cyclopropylpropan-2-yl)-3-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-N-(1-cyclopropylpropan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791897
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylsulfonylbenzenesulfonamide
CID 63994997
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 63996811
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
2-amino-4-bromo-N-(1-cyclopropylpropan-2-yl)benzenesulfonamide
CID 63988907
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide
CID 106065762
4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide
CID 82845720
2-chloro-5-(1-cyclopropylpropan-2-ylsulfamoyl)-3-fluorobenzoic acid
CID 81451923
N-(1-cyclopropylpropan-2-yl)-4-(ethylamino)benzenesulfonamide
CID 63996191

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide (CID 82844725) is 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide is CC(CC1CC1)NS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is BSUWUOLBEMJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-8(6-9-2-3-9)15-18(16,17)10-4-5-12(14)11(13)7-10/h4-5,7-9,15H,2-3,6,14H2,1H3.
What are the key properties of 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide?
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82844725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).