4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide

C16H18N6O2S — CID 22273530

IUPAC4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C)n2)cc1
InChIInChI=1S/C16H18N6O2S/c1-11-19-10-15(22(11)3)14-8-9-18-16(21-14)20-12-4-6-13(7-5-12)25(23,24)17-2/h4-10,17H,1-3H3,(H,18,20,21)
InChIKeyMYLOKGPRUSRDBK-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.84
Rot. Bonds5

About 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide

4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 22273530) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
PubChem CID22273530
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C)n2)cc1
InChIInChI=1S/C16H18N6O2S/c1-11-19-10-15(22(11)3)14-8-9-18-16(21-14)20-12-4-6-13(7-5-12)25(23,24)17-2/h4-10,17H,1-3H3,(H,18,20,21)
InChIKeyMYLOKGPRUSRDBK-UHFFFAOYSA-N
XLogP1.84
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide (CID 22273530) is 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C)n2)cc1.
What is the InChIKey of 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is MYLOKGPRUSRDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-11-19-10-15(22(11)3)14-8-9-18-16(21-14)20-12-4-6-13(7-5-12)25(23,24)17-2/h4-10,17H,1-3H3,(H,18,20,21).
What are the key properties of 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide?
4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 358.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 22273530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).