5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide

C12H13NO4S2 — CID 10518258

IUPAC5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(C(O)c2ccc(CO)cc2)c1
InChIInChI=1S/C12H13NO4S2/c13-19(16,17)10-5-11(18-7-10)12(15)9-3-1-8(6-14)2-4-9/h1-5,7,12,14-15H,6H2,(H2,13,16,17)
InChIKeyNWWGGZYOUQDUTH-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.97
Rot. Bonds4

About 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide

5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide (PubChem CID 10518258) has the molecular formula C12H13NO4S2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide
PubChem CID10518258
Molecular FormulaC12H13NO4S2
Molecular Weight299.37 g/mol
Exact Mass299.03
IUPAC Name5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(C(O)c2ccc(CO)cc2)c1
InChIInChI=1S/C12H13NO4S2/c13-19(16,17)10-5-11(18-7-10)12(15)9-3-1-8(6-14)2-4-9/h1-5,7,12,14-15H,6H2,(H2,13,16,17)
InChIKeyNWWGGZYOUQDUTH-UHFFFAOYSA-N
XLogP0.97
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide 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

5-[hydroxy-(4-hydroxyphenyl)methyl]thiophene-3-sulfonamide
CID 10708264
5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide
CID 10517388
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
[4-(hydroxymethyl)phenyl]methanediol
CID 54533756
[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
CID 572397
5-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 67839474
5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide
CID 10790598
5-[(3,5-difluorophenyl)-trimethylsilyloxymethyl]thiophene-3-sulfonamide
CID 10809613
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
2-[2-(hydroxymethyl)-5-[hydroxy(phenyl)methyl]phenyl]thiophene-3-sulfonamide
CID 19089902
[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol
CID 107232078
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide (CID 10518258) is 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide is NS(=O)(=O)c1csc(C(O)c2ccc(CO)cc2)c1.
What is the InChIKey of 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide?
The InChIKey is NWWGGZYOUQDUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S2/c13-19(16,17)10-5-11(18-7-10)12(15)9-3-1-8(6-14)2-4-9/h1-5,7,12,14-15H,6H2,(H2,13,16,17).
What are the key properties of 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide?
5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide has a molecular weight of 299.37 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 10518258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).