1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide

C13H12N2O2S2 — CID 43242571

IUPAC1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H12N2O2S2/c14-8-11-3-5-12(6-4-11)10-19(16,17)15-9-13-2-1-7-18-13/h1-7,15H,9-10H2
InChIKeyHWAHZMDKFDEXPX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide

1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide (PubChem CID 43242571) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
PubChem CID43242571
Molecular FormulaC13H12N2O2S2
Molecular Weight292.38 g/mol
Exact Mass292.03
IUPAC Name1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H12N2O2S2/c14-8-11-3-5-12(6-4-11)10-19(16,17)15-9-13-2-1-7-18-13/h1-7,15H,9-10H2
InChIKeyHWAHZMDKFDEXPX-UHFFFAOYSA-N
XLogP2.24
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(4-cyanophenyl)methanesulfonamide
CID 61068581
1-[(4-cyanophenyl)methyl]-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 47172039
3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 110779514
1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
CID 106384997
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79578689
2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
2-[(4-chlorophenyl)methylsulfonyl]-3-(thiophen-2-ylmethylamino)prop-2-enenitrile
CID 3764003
1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide
CID 106325562
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide (CID 43242571) is 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide?
The InChIKey is HWAHZMDKFDEXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c14-8-11-3-5-12(6-4-11)10-19(16,17)15-9-13-2-1-7-18-13/h1-7,15H,9-10H2.
What are the key properties of 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide has a molecular weight of 292.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 43242571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).