5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide

C13H12N2O2S2 — CID 106268008

IUPAC5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(C#N)s2)cc1
InChIInChI=1S/C13H12N2O2S2/c1-10-3-5-11(6-4-10)15(2)19(16,17)13-8-7-12(9-14)18-13/h3-8H,1-2H3
InChIKeyNVZSLSIQEKKUIG-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.75
Rot. Bonds3

About 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide

5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 106268008) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
PubChem CID106268008
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC Name5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(C#N)s2)cc1
InChIInChI=1S/C13H12N2O2S2/c1-10-3-5-11(6-4-10)15(2)19(16,17)13-8-7-12(9-14)18-13/h3-8H,1-2H3
InChIKeyNVZSLSIQEKKUIG-UHFFFAOYSA-N
XLogP2.75
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
CID 2738607
N-[4-(cyanomethyl)phenyl]thiophene-2-sulfonamide
CID 846313
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 71624059
3-(4-(Dimethylamino)phenyl)-2-(2-thienylsulfonyl)-2-propenenitrile
CID 5715515
2-Methyl-1-(4-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 3402745
2-Fluoro-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzonitrile
CID 17439123
N-[1-(4-cyano-2-fluorophenyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 53544305
N-methyl-N-phenylthiophene-2-sulfonamide
CID 822329
N,5-dimethyl-N-phenylthiophene-2-sulfonamide
CID 2090977
[(E)-[p-(dimethylamino)phenyl]methyleneamino](oxo)-2-thienyl-lambda-sulfaniumolate
CID 687530
N-{(E)-[4-(dimethylamino)phenyl]methylidene}thiophene-2-sulfonamide
CID 9586310
N-(4-(dimethylamino)phenethyl)thiophene-2-sulfonamide
CID 16890409

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide (CID 106268008) is 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(C#N)s2)cc1.
What is the InChIKey of 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is NVZSLSIQEKKUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-10-3-5-11(6-4-10)15(2)19(16,17)13-8-7-12(9-14)18-13/h3-8H,1-2H3.
What are the key properties of 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 292.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).