6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide

C11H15N3O2S — CID 113230112

IUPAC6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O2S/c1-4-14(9(2)3)17(15,16)11-6-5-10(7-12)13-8-11/h5-6,8-9H,4H2,1-3H3
InChIKeyDNTBXFIKSQSZPL-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.37
Rot. Bonds4

About 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide

6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 113230112) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID113230112
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O2S/c1-4-14(9(2)3)17(15,16)11-6-5-10(7-12)13-8-11/h5-6,8-9H,4H2,1-3H3
InChIKeyDNTBXFIKSQSZPL-UHFFFAOYSA-N
XLogP1.37
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide (CID 113230112) is 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide is CCN(C(C)C)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is DNTBXFIKSQSZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-4-14(9(2)3)17(15,16)11-6-5-10(7-12)13-8-11/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide?
6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 253.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 113230112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).