5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide

C13H11N3O3S — CID 56684170

IUPAC5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(C#N)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H11N3O3S/c1-19-12-5-4-10(8-14)7-13(12)20(17,18)16-11-3-2-6-15-9-11/h2-7,9,16H,1H3
InChIKeyIBZWOYIOOZCEHO-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.76
Rot. Bonds4

About 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide

5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 56684170) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID56684170
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(C#N)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H11N3O3S/c1-19-12-5-4-10(8-14)7-13(12)20(17,18)16-11-3-2-6-15-9-11/h2-7,9,16H,1H3
InChIKeyIBZWOYIOOZCEHO-UHFFFAOYSA-N
XLogP1.76
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Cyanophenoxy)-3-pyridinesulfonamide
CID 46703769
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 809740
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
5-fluoro-2-methoxy-N-(4-pyridinyl)benzenesulfonamide
CID 850011
4-Methoxy-2,3-dimethyl-N-pyridin-3-yl-benzenesulfonamide
CID 1088781
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 893397
2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 934901
4-butoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3239781
5-chloro-2-methoxy-4-methyl-N-(3-pyridinyl)benzenesulfonamide
CID 6473097

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide (CID 56684170) is 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(C#N)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is IBZWOYIOOZCEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-19-12-5-4-10(8-14)7-13(12)20(17,18)16-11-3-2-6-15-9-11/h2-7,9,16H,1H3.
What are the key properties of 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide?
5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 56684170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).