4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide

C14H16N2O3S — CID 1088781

IUPAC4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2)c(C)c1C
InChIInChI=1S/C14H16N2O3S/c1-10-11(2)14(7-6-13(10)19-3)20(17,18)16-12-5-4-8-15-9-12/h4-9,16H,1-3H3
InChIKeyPQIAKGWKDUHWHP-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.51
Rot. Bonds4

About 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide

4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 1088781) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID1088781
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2)c(C)c1C
InChIInChI=1S/C14H16N2O3S/c1-10-11(2)14(7-6-13(10)19-3)20(17,18)16-12-5-4-8-15-9-12/h4-9,16H,1-3H3
InChIKeyPQIAKGWKDUHWHP-UHFFFAOYSA-N
XLogP2.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide (CID 1088781) is 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is PQIAKGWKDUHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-11(2)14(7-6-13(10)19-3)20(17,18)16-12-5-4-8-15-9-12/h4-9,16H,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 1088781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).