2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide

C18H18N4O2S — CID 1477573

IUPAC2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccnc(-c3cccnc3)n2)c(C)c1
InChIInChI=1S/C18H18N4O2S/c1-12-9-13(2)17(14(3)10-12)25(23,24)22-16-6-8-20-18(21-16)15-5-4-7-19-11-15/h4-11H,1-3H3,(H,20,21,22)
InChIKeyMXINLYCPNMLGET-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.26
Rot. Bonds4

About 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide

2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 1477573) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide
PubChem CID1477573
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccnc(-c3cccnc3)n2)c(C)c1
InChIInChI=1S/C18H18N4O2S/c1-12-9-13(2)17(14(3)10-12)25(23,24)22-16-6-8-20-18(21-16)15-5-4-7-19-11-15/h4-11H,1-3H3,(H,20,21,22)
InChIKeyMXINLYCPNMLGET-UHFFFAOYSA-N
XLogP3.26
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide (CID 1477573) is 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccnc(-c3cccnc3)n2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is MXINLYCPNMLGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-9-13(2)17(14(3)10-12)25(23,24)22-16-6-8-20-18(21-16)15-5-4-7-19-11-15/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 1477573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).