2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile

C10H5ClN2O2S2 — CID 19835061

IUPAC2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(S(=O)(=O)c2ccccc2)nc1Cl
InChIInChI=1S/C10H5ClN2O2S2/c11-9-8(6-12)16-10(13-9)17(14,15)7-4-2-1-3-5-7/h1-5H
InChIKeyQNJNGTBRTLFFCD-UHFFFAOYSA-N
MW284.75 g/mol
LogP2.50
Rot. Bonds2

About 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile

2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile (PubChem CID 19835061) has the molecular formula C10H5ClN2O2S2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile
PubChem CID19835061
Molecular FormulaC10H5ClN2O2S2
Molecular Weight284.75 g/mol
Exact Mass283.95
IUPAC Name2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(S(=O)(=O)c2ccccc2)nc1Cl
InChIInChI=1S/C10H5ClN2O2S2/c11-9-8(6-12)16-10(13-9)17(14,15)7-4-2-1-3-5-7/h1-5H
InChIKeyQNJNGTBRTLFFCD-UHFFFAOYSA-N
XLogP2.50
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile (CID 19835061) is 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile is N#Cc1sc(S(=O)(=O)c2ccccc2)nc1Cl.
What is the InChIKey of 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile?
The InChIKey is QNJNGTBRTLFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O2S2/c11-9-8(6-12)16-10(13-9)17(14,15)7-4-2-1-3-5-7/h1-5H.
What are the key properties of 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile?
2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile has a molecular weight of 284.75 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-chloro-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 19835061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).