3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C10H11N3O3S2 — CID 61285408

IUPAC3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCc2nccs2)ccc1O
InChIInChI=1S/C10H11N3O3S2/c11-8-5-7(1-2-9(8)14)18(15,16)13-6-10-12-3-4-17-10/h1-5,13-14H,6,11H2
InChIKeyODPXYTPRMROHQD-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.91
Rot. Bonds4

About 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 61285408) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID61285408
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Name3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCc2nccs2)ccc1O
InChIInChI=1S/C10H11N3O3S2/c11-8-5-7(1-2-9(8)14)18(15,16)13-6-10-12-3-4-17-10/h1-5,13-14H,6,11H2
InChIKeyODPXYTPRMROHQD-UHFFFAOYSA-N
XLogP0.91
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)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

4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 115329878
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
CID 110443097
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625412
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
3-amino-4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107212446
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
5-amino-4-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625413

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 61285408) is 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCc2nccs2)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is ODPXYTPRMROHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c11-8-5-7(1-2-9(8)14)18(15,16)13-6-10-12-3-4-17-10/h1-5,13-14H,6,11H2.
What are the key properties of 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 285.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61285408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).