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

C14H12N4O2S2 — CID 3120504

IUPAC4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C14H12N4O2S2/c15-22(19,20)12-5-3-11(4-6-12)17-14-18-13(9-21-14)10-2-1-7-16-8-10/h1-9H,(H,17,18)(H2,15,19,20)
InChIKeyMTAMSINFJAZOOC-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.60
Rot. Bonds4

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

4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 3120504) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID3120504
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC Name4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C14H12N4O2S2/c15-22(19,20)12-5-3-11(4-6-12)17-14-18-13(9-21-14)10-2-1-7-16-8-10/h1-9H,(H,17,18)(H2,15,19,20)
InChIKeyMTAMSINFJAZOOC-UHFFFAOYSA-N
XLogP2.60
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 3120504) is 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is MTAMSINFJAZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c15-22(19,20)12-5-3-11(4-6-12)17-14-18-13(9-21-14)10-2-1-7-16-8-10/h1-9H,(H,17,18)(H2,15,19,20).
What are the key properties of 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 332.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 3120504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).