3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide

C9H12F2N2O2S — CID 115406483

IUPAC3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCC(F)F)c1
InChIInChI=1S/C9H12F2N2O2S/c10-9(11)6-13-16(14,15)8-3-1-2-7(4-8)5-12/h1-4,9,13H,5-6,12H2
InChIKeyPIMBDRXNZVHVBM-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.69
Rot. Bonds5

About 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide

3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 115406483) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID115406483
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC Name3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCC(F)F)c1
InChIInChI=1S/C9H12F2N2O2S/c10-9(11)6-13-16(14,15)8-3-1-2-7(4-8)5-12/h1-4,9,13H,5-6,12H2
InChIKeyPIMBDRXNZVHVBM-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide 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-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
CID 79090939
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106335796
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
3-(aminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082233
[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
CID 43589421
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61482582

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide (CID 115406483) is 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide is NCc1cccc(S(=O)(=O)NCC(F)F)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is PIMBDRXNZVHVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c10-9(11)6-13-16(14,15)8-3-1-2-7(4-8)5-12/h1-4,9,13H,5-6,12H2.
What are the key properties of 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide?
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 250.27 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 115406483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).