N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide

C13H12N2O2S2 — CID 47309319

IUPACN-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)s1
InChIInChI=1S/C13H12N2O2S2/c1-2-12-7-8-13(18-12)19(16,17)15-11-5-3-10(9-14)4-6-11/h3-8,15H,2H2,1H3
InChIKeyRVTLPDKPVNQVGB-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.98
Rot. Bonds4

About N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide

N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 47309319) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
PubChem CID47309319
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC NameN-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)s1
InChIInChI=1S/C13H12N2O2S2/c1-2-12-7-8-13(18-12)19(16,17)15-11-5-3-10(9-14)4-6-11/h3-8,15H,2H2,1H3
InChIKeyRVTLPDKPVNQVGB-UHFFFAOYSA-N
XLogP2.98
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
CID 112990004
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-ethyl-N-(4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 112981153
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899
5-ethyl-N-[4-(1H-pyrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 110732438

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide (CID 47309319) is N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)s1.
What is the InChIKey of N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is RVTLPDKPVNQVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-2-12-7-8-13(18-12)19(16,17)15-11-5-3-10(9-14)4-6-11/h3-8,15H,2H2,1H3.
What are the key properties of N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide?
N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 292.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 47309319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).