4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C15H13N3O4S2 — CID 2928782

IUPAC4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1
InChIInChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-2-10(3-5-11)17-15-18-12(8-23-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,(H,17,18)(H2,16,21,22)
InChIKeyOTCVEBGHBZITPZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.61
Rot. Bonds4

About 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 2928782) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID2928782
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Name4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1
InChIInChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-2-10(3-5-11)17-15-18-12(8-23-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,(H,17,18)(H2,16,21,22)
InChIKeyOTCVEBGHBZITPZ-UHFFFAOYSA-N
XLogP2.61
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]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

4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 164587687
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 90730964
2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544584
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol
CID 839872
4-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 751856
4-[2-(2-ethylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 2177996
2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544581
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1117219
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
CID 11516941

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 2928782) is 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1.
What is the InChIKey of 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is OTCVEBGHBZITPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-2-10(3-5-11)17-15-18-12(8-23-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,(H,17,18)(H2,16,21,22).
What are the key properties of 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 363.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 2928782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).