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

C15H18N2O2S — CID 676052

IUPAC2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccnc2)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-11-7-12(2)15(13(3)8-11)20(18,19)17-10-14-5-4-6-16-9-14/h4-9,17H,10H2,1-3H3
InChIKeyXQCVHGMDZODRPM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.49
Rot. Bonds4

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

2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 676052) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID676052
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2cccnc2)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-11-7-12(2)15(13(3)8-11)20(18,19)17-10-14-5-4-6-16-9-14/h4-9,17H,10H2,1-3H3
InChIKeyXQCVHGMDZODRPM-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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Related Compounds

Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
CID 466102
1-Tosylpyrrole
CID 640087
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
BM-960102
CID 819349
2-Fluoro-1-methylpyridinium p-toluenesulfonate
CID 171631
Hjc 0350
CID 22200891
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 24884859
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide
CID 842946
3-{1-[(2,3,4-Trimethylphenyl)sulfonyl]piperidin-2-yl}pyridine
CID 4563535

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 676052) is 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2cccnc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is XQCVHGMDZODRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-7-12(2)15(13(3)8-11)20(18,19)17-10-14-5-4-6-16-9-14/h4-9,17H,10H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,4,6-trimethyl-N-(pyridin-3-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 2,4,6-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 676052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).