2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide

C14H16N2O2S — CID 802068

IUPAC2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccnc2)c(C)c1C
InChIInChI=1S/C14H16N2O2S/c1-10-6-7-14(12(3)11(10)2)19(17,18)16-13-5-4-8-15-9-13/h4-9,16H,1-3H3
InChIKeySZZAZESVMPZHKE-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.81
Rot. Bonds3

About 2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide

2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 802068) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID802068
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccnc2)c(C)c1C
InChIInChI=1S/C14H16N2O2S/c1-10-6-7-14(12(3)11(10)2)19(17,18)16-13-5-4-8-15-9-13/h4-9,16H,1-3H3
InChIKeySZZAZESVMPZHKE-UHFFFAOYSA-N
XLogP2.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.81
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-3-ylbenzenesulfonamide?
The IUPAC name of 2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide (CID 802068) is 2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccnc2)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is SZZAZESVMPZHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-6-7-14(12(3)11(10)2)19(17,18)16-13-5-4-8-15-9-13/h4-9,16H,1-3H3.
What are the key properties of 2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide?
2,3,4-trimethyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.81, 3 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-3-ylbenzenesulfonamide is sourced from PubChem (CID 802068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).