2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile

C10H6ClN3O2S2 — CID 118611249

IUPAC2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile
SMILESN#CC(c1nccnc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H6ClN3O2S2/c11-10-9(13-3-4-14-10)7(6-12)18(15,16)8-2-1-5-17-8/h1-5,7H
InChIKeyYKXQHCRFPJIASP-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.23
Rot. Bonds3

About 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile

2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile (PubChem CID 118611249) has the molecular formula C10H6ClN3O2S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile.

Molecular Properties

Compound Name2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile
PubChem CID118611249
Molecular FormulaC10H6ClN3O2S2
Molecular Weight299.76 g/mol
Exact Mass298.96
IUPAC Name2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile
SMILESN#CC(c1nccnc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H6ClN3O2S2/c11-10-9(13-3-4-14-10)7(6-12)18(15,16)8-2-1-5-17-8/h1-5,7H
InChIKeyYKXQHCRFPJIASP-UHFFFAOYSA-N
XLogP2.23
TPSA83.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile
CID 667182
(2R)-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile
CID 7586405
(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol
CID 119085249
(2S)-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile
CID 40852303
(2R)-2-(benzenesulfonyl)-2-(2-chloro-3-pyridinyl)acetonitrile
CID 125491707
2-propan-2-ylsulfonylthiophene
CID 22953694
2-(difluoromethylsulfonyl)thiophene
CID 82076235
N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
CID 9184177
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
CID 61051149
N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9184130

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile?
The IUPAC name of 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile (CID 118611249) is 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile.
What is the SMILES notation for 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile?
The canonical SMILES for 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile is N#CC(c1nccnc1Cl)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile?
The InChIKey is YKXQHCRFPJIASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2S2/c11-10-9(13-3-4-14-10)7(6-12)18(15,16)8-2-1-5-17-8/h1-5,7H.
What are the key properties of 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile?
2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile has a molecular weight of 299.76 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrazin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile is sourced from PubChem (CID 118611249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).