N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide

C13H12N4O2S — CID 61359217

IUPACN-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
SMILESCN(c1ccncc1N)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H12N4O2S/c1-17(12-6-7-16-9-11(12)15)20(18,19)13-5-3-2-4-10(13)8-14/h2-7,9H,15H2,1H3
InChIKeyRXLYFKOOFCIHOS-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.36
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide

N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide (PubChem CID 61359217) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
PubChem CID61359217
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
SMILESCN(c1ccncc1N)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H12N4O2S/c1-17(12-6-7-16-9-11(12)15)20(18,19)13-5-3-2-4-10(13)8-14/h2-7,9H,15H2,1H3
InChIKeyRXLYFKOOFCIHOS-UHFFFAOYSA-N
XLogP1.36
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide (CID 61359217) is N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide is CN(c1ccncc1N)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide?
The InChIKey is RXLYFKOOFCIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-17(12-6-7-16-9-11(12)15)20(18,19)13-5-3-2-4-10(13)8-14/h2-7,9H,15H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide?
N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 61359217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).