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

C15H13N3O3S2 — CID 973041

IUPAC4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C15H13N3O3S2/c16-23(20,21)13-7-3-11(4-8-13)17-15-18-14(9-22-15)10-1-5-12(19)6-2-10/h1-9,19H,(H,17,18)(H2,16,20,21)
InChIKeyFGKVCWDGKBIRKI-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.91
Rot. Bonds4

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

4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 973041) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID973041
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1
InChIInChI=1S/C15H13N3O3S2/c16-23(20,21)13-7-3-11(4-8-13)17-15-18-14(9-22-15)10-1-5-12(19)6-2-10/h1-9,19H,(H,17,18)(H2,16,20,21)
InChIKeyFGKVCWDGKBIRKI-UHFFFAOYSA-N
XLogP2.91
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(4-hydroxyphenyl)-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-Amino-1,3-thiazol-4-yl)phenol
CID 346926
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-{[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 16645659
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
3-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 694593
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
4-[[4-(3,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
3-[[4-(4-(18F)fluoro-2-fluorophenyl)-1,3-thiazol-2-yl]amino](18F)phenol
CID 168272144

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 973041) is 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is FGKVCWDGKBIRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c16-23(20,21)13-7-3-11(4-8-13)17-15-18-14(9-22-15)10-1-5-12(19)6-2-10/h1-9,19H,(H,17,18)(H2,16,20,21).
What are the key properties of 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 973041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).