5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide

C15H16N2O2S2 — CID 53467262

IUPAC5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2ccc(C#N)cc2)s1
InChIInChI=1S/C15H16N2O2S2/c1-3-17(4-2)21(18,19)15-10-9-14(20-15)13-7-5-12(11-16)6-8-13/h5-10H,3-4H2,1-2H3
InChIKeyRWHTYKYXXHTAHX-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.32
Rot. Bonds5

About 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide

5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide (PubChem CID 53467262) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide
PubChem CID53467262
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2ccc(C#N)cc2)s1
InChIInChI=1S/C15H16N2O2S2/c1-3-17(4-2)21(18,19)15-10-9-14(20-15)13-7-5-12(11-16)6-8-13/h5-10H,3-4H2,1-2H3
InChIKeyRWHTYKYXXHTAHX-UHFFFAOYSA-N
XLogP3.32
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 134137058
US20250115569, Example 21
CID 176509319
4-(4-Thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzonitrile
CID 4847049
5-cyano-N-ethyl-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 168898823
5-cyano-N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 169933318
N-(t-butyl)-3-(4-cyanobenzyl)-5-isobutylthiophene-2-sulfonamide
CID 11153527
2-(5-Methylsulfonylthiophen-2-yl)benzonitrile
CID 53466815
4-(3-Methylsulfinylthiophen-2-yl)benzonitrile
CID 138980033
4-[1-(3-fluorothiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]benzonitrile
CID 132287973
4-[1-[5-(trifluoromethyl)thiophen-2-yl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]benzonitrile
CID 132295239
2-cyano-N-(1,1-difluoro-4-phenylbutan-2-yl)-N-methylthiophene-3-sulfonamide
CID 132320512
N,N-diethyl-4-fluoro-5-phenylthiophene-2-sulfonamide
CID 132497195

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide (CID 53467262) is 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C#N)cc2)s1.
What is the InChIKey of 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide?
The InChIKey is RWHTYKYXXHTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-3-17(4-2)21(18,19)15-10-9-14(20-15)13-7-5-12(11-16)6-8-13/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide?
5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide has a molecular weight of 320.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N,N-diethylthiophene-2-sulfonamide is sourced from PubChem (CID 53467262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).