4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide

C9H12F2N2O4S — CID 66174828

IUPAC4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)NCC(O)CO)c(F)c1
InChIInChI=1S/C9H12F2N2O4S/c10-7-1-5(12)2-8(11)9(7)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4,12H2
InChIKeyKNBXDOVCJJGYOS-UHFFFAOYSA-N
MW282.27 g/mol
LogP-0.82
Rot. Bonds5

About 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide

4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide (PubChem CID 66174828) has the molecular formula C9H12F2N2O4S and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
PubChem CID66174828
Molecular FormulaC9H12F2N2O4S
Molecular Weight282.27 g/mol
Exact Mass282.05
IUPAC Name4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)NCC(O)CO)c(F)c1
InChIInChI=1S/C9H12F2N2O4S/c10-7-1-5(12)2-8(11)9(7)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4,12H2
InChIKeyKNBXDOVCJJGYOS-UHFFFAOYSA-N
XLogP-0.82
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide 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

N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide
CID 66175412
5-amino-N-(2,3-dihydroxypropyl)-2,3-difluorobenzenesulfonamide
CID 66176945
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 66177364
5-amino-3-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175671
4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113473
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
4-amino-N-but-2-ynyl-2,6-difluorobenzenesulfonamide
CID 113464456
6-amino-N-(2,3-dihydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 66177998
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 66177540
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide (CID 66174828) is 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide is Nc1cc(F)c(S(=O)(=O)NCC(O)CO)c(F)c1.
What is the InChIKey of 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is KNBXDOVCJJGYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4S/c10-7-1-5(12)2-8(11)9(7)18(16,17)13-3-6(15)4-14/h1-2,6,13-15H,3-4,12H2.
What are the key properties of 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide?
4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide has a molecular weight of 282.27 g/mol, XLogP of -0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydroxypropyl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 66174828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).