4-methoxy-N-pyridin-3-ylbenzenesulfonamide

C12H12N2O3S — CID 771985

IUPAC4-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-11-4-6-12(7-5-11)18(15,16)14-10-3-2-8-13-9-10/h2-9,14H,1H3
InChIKeyYXRDIJMPRVTEQX-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.89
Rot. Bonds4

About 4-methoxy-N-pyridin-3-ylbenzenesulfonamide

4-methoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 771985) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-methoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID771985
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name4-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-11-4-6-12(7-5-11)18(15,16)14-10-3-2-8-13-9-10/h2-9,14H,1H3
InChIKeyYXRDIJMPRVTEQX-UHFFFAOYSA-N
XLogP1.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-pyridin-3-ylbenzenesulfonamide (CID 771985) is 4-methoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is YXRDIJMPRVTEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-11-4-6-12(7-5-11)18(15,16)14-10-3-2-8-13-9-10/h2-9,14H,1H3.
What are the key properties of 4-methoxy-N-pyridin-3-ylbenzenesulfonamide?
4-methoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 771985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).