4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

C15H16N2O2S2 — CID 79203526

IUPAC4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C15H16N2O2S2/c1-12(11-14-3-2-10-20-14)17-21(18,19)15-6-4-13(5-7-15)8-9-16/h2-7,10,12,17H,8,11H2,1H3
InChIKeyYREJYHBXZANJGB-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.72
Rot. Bonds6

About 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 79203526) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID79203526
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C15H16N2O2S2/c1-12(11-14-3-2-10-20-14)17-21(18,19)15-6-4-13(5-7-15)8-9-16/h2-7,10,12,17H,8,11H2,1H3
InChIKeyYREJYHBXZANJGB-UHFFFAOYSA-N
XLogP2.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 115582135
4-(cyanomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 79185646
3-[[4-(cyanomethyl)phenyl]sulfonylamino]butanoic acid
CID 79186445
4-(cyanomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 79186157
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
3-(aminomethyl)-4-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 106004402
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
4-(cyanomethyl)-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115672028
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 106004407

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 79203526) is 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is CC(Cc1cccs1)NS(=O)(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is YREJYHBXZANJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-12(11-14-3-2-10-20-14)17-21(18,19)15-6-4-13(5-7-15)8-9-16/h2-7,10,12,17H,8,11H2,1H3.
What are the key properties of 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 320.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 79203526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).