6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide

C13H13N3O2S2 — CID 115602484

IUPAC6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H13N3O2S2/c1-2-16(10-12-4-3-7-19-12)20(17,18)13-6-5-11(8-14)15-9-13/h3-7,9H,2,10H2,1H3
InChIKeyXKRGDXRHPYUNMJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.23
Rot. Bonds5

About 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide

6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 115602484) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID115602484
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C13H13N3O2S2/c1-2-16(10-12-4-3-7-19-12)20(17,18)13-6-5-11(8-14)15-9-13/h3-7,9H,2,10H2,1H3
InChIKeyXKRGDXRHPYUNMJ-UHFFFAOYSA-N
XLogP2.23
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61438022
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 115755442
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
CID 113230112
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 115602608

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide (CID 115602484) is 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is XKRGDXRHPYUNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-2-16(10-12-4-3-7-19-12)20(17,18)13-6-5-11(8-14)15-9-13/h3-7,9H,2,10H2,1H3.
What are the key properties of 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide?
6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).