4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

C19H14N4O4S2 — CID 171043078

IUPAC4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(O)c(/C=C3/C=c4ccccc4=NC3=O)s2)cc1
InChIInChI=1S/C19H14N4O4S2/c20-29(26,27)14-7-5-13(6-8-14)21-19-23-18(25)16(28-19)10-12-9-11-3-1-2-4-15(11)22-17(12)24/h1-10,25H,(H,21,23)(H2,20,26,27)/b12-10-
InChIKeyIANCXPFZFQTDTM-BENRWUELSA-N
MW426.48 g/mol
LogP1.26
Rot. Bonds4

About 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 171043078) has the molecular formula C19H14N4O4S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID171043078
Molecular FormulaC19H14N4O4S2
Molecular Weight426.48 g/mol
Exact Mass426.05
IUPAC Name4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(O)c(/C=C3/C=c4ccccc4=NC3=O)s2)cc1
InChIInChI=1S/C19H14N4O4S2/c20-29(26,27)14-7-5-13(6-8-14)21-19-23-18(25)16(28-19)10-12-9-11-3-1-2-4-15(11)22-17(12)24/h1-10,25H,(H,21,23)(H2,20,26,27)/b12-10-
InChIKeyIANCXPFZFQTDTM-BENRWUELSA-N
XLogP1.26
TPSA134.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 171043078) is 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(O)c(/C=C3/C=c4ccccc4=NC3=O)s2)cc1.
What is the InChIKey of 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is IANCXPFZFQTDTM-BENRWUELSA-N. The full InChI is InChI=1S/C19H14N4O4S2/c20-29(26,27)14-7-5-13(6-8-14)21-19-23-18(25)16(28-19)10-12-9-11-3-1-2-4-15(11)22-17(12)24/h1-10,25H,(H,21,23)(H2,20,26,27)/b12-10-.
What are the key properties of 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 426.48 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-5-[(Z)-(2-oxoquinolin-3-ylidene)methyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 171043078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).