5-cyano-N,N-diethylpyridine-3-sulfonamide

C10H13N3O2S — CID 146048005

IUPAC5-cyano-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cncc(C#N)c1
InChIInChI=1S/C10H13N3O2S/c1-3-13(4-2)16(14,15)10-5-9(6-11)7-12-8-10/h5,7-8H,3-4H2,1-2H3
InChIKeyMNKQCNVRDNUOFE-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.98
Rot. Bonds4

About 5-cyano-N,N-diethylpyridine-3-sulfonamide

5-cyano-N,N-diethylpyridine-3-sulfonamide (PubChem CID 146048005) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-cyano-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-N,N-diethylpyridine-3-sulfonamide
PubChem CID146048005
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name5-cyano-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cncc(C#N)c1
InChIInChI=1S/C10H13N3O2S/c1-3-13(4-2)16(14,15)10-5-9(6-11)7-12-8-10/h5,7-8H,3-4H2,1-2H3
InChIKeyMNKQCNVRDNUOFE-UHFFFAOYSA-N
XLogP0.98
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 5-cyano-N,N-diethylpyridine-3-sulfonamide (CID 146048005) is 5-cyano-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cncc(C#N)c1.
What is the InChIKey of 5-cyano-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is MNKQCNVRDNUOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-13(4-2)16(14,15)10-5-9(6-11)7-12-8-10/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 5-cyano-N,N-diethylpyridine-3-sulfonamide?
5-cyano-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 239.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 146048005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).