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

C14H11ClN4O2S2 — CID 164587687

IUPAC4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccnc(Cl)c3)cs2)cc1
InChIInChI=1S/C14H11ClN4O2S2/c15-13-7-9(5-6-17-13)12-8-22-14(19-12)18-10-1-3-11(4-2-10)23(16,20)21/h1-8H,(H,18,19)(H2,16,20,21)
InChIKeyLIPYAAFOEWPTGT-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.25
Rot. Bonds4

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

4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 164587687) has the molecular formula C14H11ClN4O2S2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID164587687
Molecular FormulaC14H11ClN4O2S2
Molecular Weight366.86 g/mol
Exact Mass366.00
IUPAC Name4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccnc(Cl)c3)cs2)cc1
InChIInChI=1S/C14H11ClN4O2S2/c15-13-7-9(5-6-17-13)12-8-22-14(19-12)18-10-1-3-11(4-2-10)23(16,20)21/h1-8H,(H,18,19)(H2,16,20,21)
InChIKeyLIPYAAFOEWPTGT-UHFFFAOYSA-N
XLogP3.25
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 90730964
2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544584
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049
N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 155312775
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 58911132
4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1117219
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504097
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 164587687) is 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(-c3ccnc(Cl)c3)cs2)cc1.
What is the InChIKey of 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is LIPYAAFOEWPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S2/c15-13-7-9(5-6-17-13)12-8-22-14(19-12)18-10-1-3-11(4-2-10)23(16,20)21/h1-8H,(H,18,19)(H2,16,20,21).
What are the key properties of 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 366.86 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 164587687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).