2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile

C16H8Cl2N2O3S — CID 155942976

IUPAC2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2Cl)oc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H8Cl2N2O3S/c17-10-5-7-11(8-6-10)24(21,22)16-14(9-19)20-15(23-16)12-3-1-2-4-13(12)18/h1-8H
InChIKeyOIBPUIPCYPDGCN-UHFFFAOYSA-N
MW379.22 g/mol
LogP4.35
Rot. Bonds3

About 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile

2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile (PubChem CID 155942976) has the molecular formula C16H8Cl2N2O3S and a molecular weight of 379.22 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile
PubChem CID155942976
Molecular FormulaC16H8Cl2N2O3S
Molecular Weight379.22 g/mol
Exact Mass377.96
IUPAC Name2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccccc2Cl)oc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H8Cl2N2O3S/c17-10-5-7-11(8-6-10)24(21,22)16-14(9-19)20-15(23-16)12-3-1-2-4-13(12)18/h1-8H
InChIKeyOIBPUIPCYPDGCN-UHFFFAOYSA-N
XLogP4.35
TPSA83.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-prop-2-enyl-1,3-oxazol-5-amine
CID 18826640
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methylpropyl)-1,3-oxazol-5-amine
CID 18826635
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
2-(2-chlorophenyl)-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 172898350
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5-amine
CID 18826652
5-(azepan-1-yl)-2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazole
CID 2139826
2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18826632
5-[(2,4-dichlorophenyl)methylsulfonyl]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 91901005
4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
CID 987252
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-phenyl-1,3-oxazol-5-amine
CID 18826528
2-(2-chlorophenyl)-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
CID 892116
2-(2-chlorophenyl)-5-(3-methoxypropylamino)-1,3-oxazole-4-carbonitrile
CID 2192066

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile (CID 155942976) is 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccccc2Cl)oc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile?
The InChIKey is OIBPUIPCYPDGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O3S/c17-10-5-7-11(8-6-10)24(21,22)16-14(9-19)20-15(23-16)12-3-1-2-4-13(12)18/h1-8H.
What are the key properties of 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile?
2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile has a molecular weight of 379.22 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 155942976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).