4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide

C16H13ClN4O2S — CID 11588556

IUPAC4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H13ClN4O2S/c17-12-3-1-11(2-4-12)15-9-10-19-16(21-15)20-13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)(H,19,20,21)
InChIKeyAWQPLLDNLLNCKK-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.19
Rot. Bonds4

About 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide

4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 11588556) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID11588556
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H13ClN4O2S/c17-12-3-1-11(2-4-12)15-9-10-19-16(21-15)20-13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)(H,19,20,21)
InChIKeyAWQPLLDNLLNCKK-UHFFFAOYSA-N
XLogP3.19
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 11588556) is 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is AWQPLLDNLLNCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c17-12-3-1-11(2-4-12)15-9-10-19-16(21-15)20-13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)(H,19,20,21).
What are the key properties of 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide?
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 360.83 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11588556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).