N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

C19H14N4O3S2 — CID 70789537

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccnc2ccccc12
InChIInChI=1S/C19H14N4O3S2/c24-18(16-9-10-20-17-4-2-1-3-15(16)17)22-13-5-7-14(8-6-13)28(25,26)23-19-21-11-12-27-19/h1-12H,(H,21,23)(H,22,24)
InChIKeyYBOICQPIEWXKJU-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.74
Rot. Bonds5

About N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 70789537) has the molecular formula C19H14N4O3S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID70789537
Molecular FormulaC19H14N4O3S2
Molecular Weight410.48 g/mol
Exact Mass410.05
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccnc2ccccc12
InChIInChI=1S/C19H14N4O3S2/c24-18(16-9-10-20-17-4-2-1-3-15(16)17)22-13-5-7-14(8-6-13)28(25,26)23-19-21-11-12-27-19/h1-12H,(H,21,23)(H,22,24)
InChIKeyYBOICQPIEWXKJU-UHFFFAOYSA-N
XLogP3.74
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 70789537) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccnc2ccccc12.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is YBOICQPIEWXKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S2/c24-18(16-9-10-20-17-4-2-1-3-15(16)17)22-13-5-7-14(8-6-13)28(25,26)23-19-21-11-12-27-19/h1-12H,(H,21,23)(H,22,24).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 70789537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).