4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide

C9H13FN2O2S — CID 146570721

IUPAC4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCC(C)(N)c1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C9H13FN2O2S/c1-9(2,11)6-3-4-8(7(10)5-6)15(12,13)14/h3-5H,11H2,1-2H3,(H2,12,13,14)
InChIKeyXOVFMEWXKXJWSZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.67
Rot. Bonds2

About 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide

4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 146570721) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
PubChem CID146570721
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCC(C)(N)c1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C9H13FN2O2S/c1-9(2,11)6-3-4-8(7(10)5-6)15(12,13)14/h3-5H,11H2,1-2H3,(H2,12,13,14)
InChIKeyXOVFMEWXKXJWSZ-UHFFFAOYSA-N
XLogP0.67
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminopropan-2-yl)-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

2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
CID 155821579
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
2-fluoro-4-[3-sulfanyl-4-[4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 91027770
2-[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylethanesulfonamide
CID 107303968
2-fluoro-4-(trifluoromethyl)benzenesulfonate
CID 22057394
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
2-(3-chloro-4-methylsulfonylphenyl)propan-2-amine
CID 117372590
2-fluoro-4-[4-(4-methylphenyl)thiophen-3-yl]benzenesulfonamide
CID 139972035
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
CID 137443191
2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 83236530
2-(3,4,5-trifluorophenyl)propan-2-amine;hydrochloride
CID 154857245

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide (CID 146570721) is 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide is CC(C)(N)c1ccc(S(N)(=O)=O)c(F)c1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is XOVFMEWXKXJWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-9(2,11)6-3-4-8(7(10)5-6)15(12,13)14/h3-5H,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide?
4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 146570721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).