5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C11H10N2O2S3 — CID 106267326

IUPAC5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H10N2O2S3/c1-13(8-10-3-2-6-16-10)18(14,15)11-5-4-9(7-12)17-11/h2-6H,8H2,1H3
InChIKeyRTCFBGIKXWIPMW-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.50
Rot. Bonds4

About 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106267326) has the molecular formula C11H10N2O2S3 and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID106267326
Molecular FormulaC11H10N2O2S3
Molecular Weight298.41 g/mol
Exact Mass297.99
IUPAC Name5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H10N2O2S3/c1-13(8-10-3-2-6-16-10)18(14,15)11-5-4-9(7-12)17-11/h2-6H,8H2,1H3
InChIKeyRTCFBGIKXWIPMW-UHFFFAOYSA-N
XLogP2.50
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-[methyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270368
5-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106268270
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 106266702
3-cyano-4-ethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 171134147
4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527794
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 106272948
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008
N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 9302453
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 106267326) is 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is CN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is RTCFBGIKXWIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S3/c1-13(8-10-3-2-6-16-10)18(14,15)11-5-4-9(7-12)17-11/h2-6H,8H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).