2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide

C15H14N2O2S2 — CID 110731431

IUPAC2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC1(c2cccs2)CC1
InChIInChI=1S/C15H14N2O2S2/c16-10-12-4-1-2-5-13(12)21(18,19)17-11-15(7-8-15)14-6-3-9-20-14/h1-6,9,17H,7-8,11H2
InChIKeyPECVWRNSOZTZRR-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.63
Rot. Bonds5

About 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide

2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 110731431) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
PubChem CID110731431
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC1(c2cccs2)CC1
InChIInChI=1S/C15H14N2O2S2/c16-10-12-4-1-2-5-13(12)21(18,19)17-11-15(7-8-15)14-6-3-9-20-14/h1-6,9,17H,7-8,11H2
InChIKeyPECVWRNSOZTZRR-UHFFFAOYSA-N
XLogP2.63
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide (CID 110731431) is 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCC1(c2cccs2)CC1.
What is the InChIKey of 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is PECVWRNSOZTZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c16-10-12-4-1-2-5-13(12)21(18,19)17-11-15(7-8-15)14-6-3-9-20-14/h1-6,9,17H,7-8,11H2.
What are the key properties of 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide?
2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110731431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).