4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H14N2O2S2 — CID 30171718

IUPAC4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H14N2O2S2/c1-2-16(11-13-4-3-9-19-13)20(17,18)14-7-5-12(10-15)6-8-14/h3-9H,2,11H2,1H3
InChIKeyMOFYTDDWIRTKRP-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.83
Rot. Bonds5

About 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 30171718) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID30171718
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H14N2O2S2/c1-2-16(11-13-4-3-9-19-13)20(17,18)14-7-5-12(10-15)6-8-14/h3-9H,2,11H2,1H3
InChIKeyMOFYTDDWIRTKRP-UHFFFAOYSA-N
XLogP2.83
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 115602484
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61438022
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971
2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801780
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 30171718) is 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MOFYTDDWIRTKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-2-16(11-13-4-3-9-19-13)20(17,18)14-7-5-12(10-15)6-8-14/h3-9H,2,11H2,1H3.
What are the key properties of 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 30171718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).