5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile

C14H8ClN3O2S2 — CID 14455956

IUPAC5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c(Cl)n1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H8ClN3O2S2/c15-14-13(10-5-2-1-3-6-10)17-11(9-16)18(14)22(19,20)12-7-4-8-21-12/h1-8H
InChIKeyYPIFRBINJNDAED-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.37
Rot. Bonds3

About 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile

5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile (PubChem CID 14455956) has the molecular formula C14H8ClN3O2S2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile
PubChem CID14455956
Molecular FormulaC14H8ClN3O2S2
Molecular Weight349.82 g/mol
Exact Mass348.97
IUPAC Name5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c(Cl)n1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H8ClN3O2S2/c15-14-13(10-5-2-1-3-6-10)17-11(9-16)18(14)22(19,20)12-7-4-8-21-12/h1-8H
InChIKeyYPIFRBINJNDAED-UHFFFAOYSA-N
XLogP3.37
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile?
The IUPAC name of 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile (CID 14455956) is 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile.
What is the SMILES notation for 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile?
The canonical SMILES for 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile is N#Cc1nc(-c2ccccc2)c(Cl)n1S(=O)(=O)c1cccs1.
What is the InChIKey of 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile?
The InChIKey is YPIFRBINJNDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O2S2/c15-14-13(10-5-2-1-3-6-10)17-11(9-16)18(14)22(19,20)12-7-4-8-21-12/h1-8H.
What are the key properties of 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile?
5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile has a molecular weight of 349.82 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-phenyl-1-thiophen-2-ylsulfonylimidazole-2-carbonitrile is sourced from PubChem (CID 14455956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).