N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C12H12N2O3S — CID 2815584

IUPACN-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C12H12N2O3S/c1-17-12-8-7-10(9-13-12)14-18(15,16)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyNUIHZRUZEGKXPC-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.89
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)benzenesulfonamide

N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 2815584) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID2815584
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C12H12N2O3S/c1-17-12-8-7-10(9-13-12)14-18(15,16)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyNUIHZRUZEGKXPC-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 N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 2815584) is N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is NUIHZRUZEGKXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-12-8-7-10(9-13-12)14-18(15,16)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
N-(6-methoxy-3-pyridinyl)benzenesulfonamide 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 N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2815584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).