2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide

C9H13F2N3O2S — CID 114384513

IUPAC2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
SMILESNCC(F)(F)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H13F2N3O2S/c10-9(11,5-12)6-14-7-3-1-2-4-8(7)17(13,15)16/h1-4,14H,5-6,12H2,(H2,13,15,16)
InChIKeyPKIWPLLQVWGHQR-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.34
Rot. Bonds5

About 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide

2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide (PubChem CID 114384513) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
PubChem CID114384513
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC Name2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
SMILESNCC(F)(F)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C9H13F2N3O2S/c10-9(11,5-12)6-14-7-3-1-2-4-8(7)17(13,15)16/h1-4,14H,5-6,12H2,(H2,13,15,16)
InChIKeyPKIWPLLQVWGHQR-UHFFFAOYSA-N
XLogP0.34
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-2,2-difluoropropyl)amino]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

2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
CID 106293975
2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
2,2-difluoro-N'-(2-nitrophenyl)propane-1,3-diamine
CID 114384183
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-[2-(aminomethyl)anilino]benzenesulfonamide
CID 63761931
2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
CID 106172244
2-(2-phenylsulfanylethylamino)benzenesulfonamide;hydrochloride
CID 142779207
2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107159038
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide?
The IUPAC name of 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide (CID 114384513) is 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide is NCC(F)(F)CNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide?
The InChIKey is PKIWPLLQVWGHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c10-9(11,5-12)6-14-7-3-1-2-4-8(7)17(13,15)16/h1-4,14H,5-6,12H2,(H2,13,15,16).
What are the key properties of 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide?
2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide is sourced from PubChem (CID 114384513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).