2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole

C9H7ClN2O3S — CID 141002632

IUPAC2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1cccc(Cl)c1-c1nnco1
InChIInChI=1S/C9H7ClN2O3S/c1-16(13,14)7-4-2-3-6(10)8(7)9-12-11-5-15-9/h2-5H,1H3
InChIKeyLPPSGYYXPHJNKY-UHFFFAOYSA-N
MW258.69 g/mol
LogP1.79
Rot. Bonds2

About 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole

2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole (PubChem CID 141002632) has the molecular formula C9H7ClN2O3S and a molecular weight of 258.69 g/mol. Its IUPAC name is 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole
PubChem CID141002632
Molecular FormulaC9H7ClN2O3S
Molecular Weight258.69 g/mol
Exact Mass257.99
IUPAC Name2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1cccc(Cl)c1-c1nnco1
InChIInChI=1S/C9H7ClN2O3S/c1-16(13,14)7-4-2-3-6(10)8(7)9-12-11-5-15-9/h2-5H,1H3
InChIKeyLPPSGYYXPHJNKY-UHFFFAOYSA-N
XLogP1.79
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.69
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434464
2-chloro-N-methyl-6-methylsulfonylaniline
CID 21161571
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760
2,6-bis(methylsulfonyl)benzaldehyde
CID 125449383
1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine
CID 84802967
2-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazole
CID 91191768
benzene;2-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 22354178
2-bromo-3-chloro-N-methylbenzenesulfonamide
CID 130173119
2-amino-1-(2-chloro-6-methylsulfonylphenyl)ethanone
CID 84706315
2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117416079
4-(2,3-dichlorophenyl)-2,6-dimethyl-5-(1,3,4-oxadiazol-2-yl)-1,4-dihydropyridine-3-carboxylate
CID 135707793
calcium bis(2,3-dichlorobenzenesulfonate)
CID 141357351

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole (CID 141002632) is 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole is CS(=O)(=O)c1cccc(Cl)c1-c1nnco1.
What is the InChIKey of 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole?
The InChIKey is LPPSGYYXPHJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3S/c1-16(13,14)7-4-2-3-6(10)8(7)9-12-11-5-15-9/h2-5H,1H3.
What are the key properties of 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole?
2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole has a molecular weight of 258.69 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 141002632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).