3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H16N2O2S — CID 794433

IUPAC3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C14H16N2O2S/c1-11-3-4-14(9-12(11)2)19(17,18)16-10-13-5-7-15-8-6-13/h3-9,16H,10H2,1-2H3
InChIKeyOTIZHZJHSPGAHW-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.18
Rot. Bonds4

About 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 794433) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID794433
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccncc2)cc1C
InChIInChI=1S/C14H16N2O2S/c1-11-3-4-14(9-12(11)2)19(17,18)16-10-13-5-7-15-8-6-13/h3-9,16H,10H2,1-2H3
InChIKeyOTIZHZJHSPGAHW-UHFFFAOYSA-N
XLogP2.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fasudil
CID 3547
1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
CID 3540
Fasudil Hydrochloride
CID 163751
N-(2-Aminoethyl)isoquinoline-5-sulfonamide
CID 3544
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
CID 466102
1-Tosylpyrrole
CID 640087
trans-(1S,2R)-2-[2-(benzenesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 9823280
1-(5-Isoquinolinylsulfonyl)piperazine
CID 3545
N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
CID 3546
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 794433) is 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is OTIZHZJHSPGAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-3-4-14(9-12(11)2)19(17,18)16-10-13-5-7-15-8-6-13/h3-9,16H,10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 794433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).