4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide

C14H11ClN4O2S2 — CID 58985677

IUPAC4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Cl)ncc2-c2cccs2)cc1
InChIInChI=1S/C14H11ClN4O2S2/c15-14-17-8-11(12-2-1-7-22-12)13(19-14)18-9-3-5-10(6-4-9)23(16,20)21/h1-8H,(H2,16,20,21)(H,17,18,19)
InChIKeyZHCNLIDTBHIPOU-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.25
Rot. Bonds4

About 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide

4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide (PubChem CID 58985677) has the molecular formula C14H11ClN4O2S2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide
PubChem CID58985677
Molecular FormulaC14H11ClN4O2S2
Molecular Weight366.86 g/mol
Exact Mass366.00
IUPAC Name4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Cl)ncc2-c2cccs2)cc1
InChIInChI=1S/C14H11ClN4O2S2/c15-14-17-8-11(12-2-1-7-22-12)13(19-14)18-9-3-5-10(6-4-9)23(16,20)21/h1-8H,(H2,16,20,21)(H,17,18,19)
InChIKeyZHCNLIDTBHIPOU-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide (CID 58985677) is 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(Cl)ncc2-c2cccs2)cc1.
What is the InChIKey of 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide?
The InChIKey is ZHCNLIDTBHIPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S2/c15-14-17-8-11(12-2-1-7-22-12)13(19-14)18-9-3-5-10(6-4-9)23(16,20)21/h1-8H,(H2,16,20,21)(H,17,18,19).
What are the key properties of 4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide?
4-[(2-chloro-5-thiophen-2-ylpyrimidin-4-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-[(2-chloro-5-thiophen-2-ylpyrimidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 58985677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).