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

C15H13N3O4S2 — CID 2175556

IUPAC4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1
InChIInChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-1-9(2-5-11)17-15-18-13(8-23-15)12-6-3-10(19)7-14(12)20/h1-8,19-20H,(H,17,18)(H2,16,21,22)
InChIKeyGOBNGGDCRDDODL-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.61
Rot. Bonds4

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

4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 2175556) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID2175556
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Name4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1
InChIInChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-1-9(2-5-11)17-15-18-13(8-23-15)12-6-3-10(19)7-14(12)20/h1-8,19-20H,(H,17,18)(H2,16,21,22)
InChIKeyGOBNGGDCRDDODL-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

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Related Compounds

N-(4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl)-2-methylpropanamide
CID 71543007
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,3-diol
CID 767450
4-[[4-(2,4-Dihydroxyphenyl)-2-thiazolyl]amino]-2-(trifluoromethyl)benzonitrile
CID 25110544
4-[[4-(3,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-[2-(6-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,3-diol
CID 751911
4-{2-[(4-Hydroxyphenyl)amino]-1,3-thiazol-4-yl}phenol
CID 972292
N-[4-(4-Hydroxy-3-methyl-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 10522547
3-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705543
4-{[4-(4-Hydroxyphenyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide
CID 973041
4-[2-(4-Fluoroanilino)-1,3-thiazol-4-yl]phenol
CID 118708825
3-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697279

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 2175556) is 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1.
What is the InChIKey of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is GOBNGGDCRDDODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-1-9(2-5-11)17-15-18-13(8-23-15)12-6-3-10(19)7-14(12)20/h1-8,19-20H,(H,17,18)(H2,16,21,22).
What are the key properties of 4-[[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(2,4-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-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 2175556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).