4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide

C16H14N4O2S — CID 11558904

IUPAC4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O2S/c17-23(21,22)14-8-6-13(7-9-14)19-16-18-11-10-15(20-16)12-4-2-1-3-5-12/h1-11H,(H2,17,21,22)(H,18,19,20)
InChIKeyUTWPAZWEWWLNMF-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.53
Rot. Bonds4

About 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide

4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 11558904) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID11558904
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H14N4O2S/c17-23(21,22)14-8-6-13(7-9-14)19-16-18-11-10-15(20-16)12-4-2-1-3-5-12/h1-11H,(H2,17,21,22)(H,18,19,20)
InChIKeyUTWPAZWEWWLNMF-UHFFFAOYSA-N
XLogP2.53
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide (CID 11558904) is 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is UTWPAZWEWWLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c17-23(21,22)14-8-6-13(7-9-14)19-16-18-11-10-15(20-16)12-4-2-1-3-5-12/h1-11H,(H2,17,21,22)(H,18,19,20).
What are the key properties of 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide?
4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 11558904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).