2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C15H18N2O2S — CID 1080609

IUPAC2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccncc2)c(C)c1C
InChIInChI=1S/C15H18N2O2S/c1-11-4-5-15(13(3)12(11)2)20(18,19)17-10-14-6-8-16-9-7-14/h4-9,17H,10H2,1-3H3
InChIKeyOHTLIWXVZNZOLE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.49
Rot. Bonds4

About 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 1080609) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID1080609
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccncc2)c(C)c1C
InChIInChI=1S/C15H18N2O2S/c1-11-4-5-15(13(3)12(11)2)20(18,19)17-10-14-6-8-16-9-7-14/h4-9,17H,10H2,1-3H3
InChIKeyOHTLIWXVZNZOLE-UHFFFAOYSA-N
XLogP2.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 1080609) is 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccncc2)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is OHTLIWXVZNZOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-4-5-15(13(3)12(11)2)20(18,19)17-10-14-6-8-16-9-7-14/h4-9,17H,10H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1080609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).