4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide

C10H15FN2O5S — CID 107849521

IUPAC4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(CO)(CO)CO)c(F)c1
InChIInChI=1S/C10H15FN2O5S/c11-8-3-7(19(12,17)18)1-2-9(8)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2,(H2,12,17,18)
InChIKeyXZZJNWQMTKYYPY-UHFFFAOYSA-N
MW294.30 g/mol
LogP-1.40
Rot. Bonds6

About 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide

4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide (PubChem CID 107849521) has the molecular formula C10H15FN2O5S and a molecular weight of 294.30 g/mol. Its IUPAC name is 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
PubChem CID107849521
Molecular FormulaC10H15FN2O5S
Molecular Weight294.30 g/mol
Exact Mass294.07
IUPAC Name4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(CO)(CO)CO)c(F)c1
InChIInChI=1S/C10H15FN2O5S/c11-8-3-7(19(12,17)18)1-2-9(8)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2,(H2,12,17,18)
InChIKeyXZZJNWQMTKYYPY-UHFFFAOYSA-N
XLogP-1.40
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-1.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-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

N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid
CID 64670271
3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide
CID 106214896
3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110927
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
CID 106145750
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086

Frequently Asked Questions

What is the IUPAC name of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide (CID 107849521) is 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(NC(CO)(CO)CO)c(F)c1.
What is the InChIKey of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide?
The InChIKey is XZZJNWQMTKYYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O5S/c11-8-3-7(19(12,17)18)1-2-9(8)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2,(H2,12,17,18).
What are the key properties of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide?
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide has a molecular weight of 294.30 g/mol, XLogP of -1.40, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107849521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).