2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C14H16N2O2S — CID 775793

IUPAC2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-11-6-7-14(12(2)9-11)19(17,18)16-10-13-5-3-4-8-15-13/h3-9,16H,10H2,1-2H3
InChIKeyZKZXMNBTLABNRB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.18
Rot. Bonds4

About 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 775793) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID775793
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-11-6-7-14(12(2)9-11)19(17,18)16-10-13-5-3-4-8-15-13/h3-9,16H,10H2,1-2H3
InChIKeyZKZXMNBTLABNRB-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 775793) is 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZKZXMNBTLABNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-6-7-14(12(2)9-11)19(17,18)16-10-13-5-3-4-8-15-13/h3-9,16H,10H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2,4-dimethyl-N-(pyridin-2-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 2,4-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 775793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).