3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide

C18H16N2O3S — CID 118714833

IUPAC3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(-c3cccnc3)cc2)c1
InChIInChI=1S/C18H16N2O3S/c1-23-17-5-2-6-18(12-17)24(21,22)20-16-9-7-14(8-10-16)15-4-3-11-19-13-15/h2-13,20H,1H3
InChIKeyYOLKZESUPOQGBJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.56
Rot. Bonds5

About 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide

3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide (PubChem CID 118714833) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide
PubChem CID118714833
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(-c3cccnc3)cc2)c1
InChIInChI=1S/C18H16N2O3S/c1-23-17-5-2-6-18(12-17)24(21,22)20-16-9-7-14(8-10-16)15-4-3-11-19-13-15/h2-13,20H,1H3
InChIKeyYOLKZESUPOQGBJ-UHFFFAOYSA-N
XLogP3.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
3,4-Dimethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1141964
2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide
CID 2931238
Hexahydro quinoline derivative 1
CID 121325265
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
5-ethoxy-2,4-dimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 977109
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
Substituted phenylsulfonyltryptamine, 11i
CID 23655464
Substituted phenylsulfonyltryptamine, 11l
CID 23655467
N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-pyridin-3-yl]benzenesulfonamide
CID 155534269

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide (CID 118714833) is 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(-c3cccnc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide?
The InChIKey is YOLKZESUPOQGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-17-5-2-6-18(12-17)24(21,22)20-16-9-7-14(8-10-16)15-4-3-11-19-13-15/h2-13,20H,1H3.
What are the key properties of 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide?
3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-pyridin-3-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 118714833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).