2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide

C11H7ClF3N3O4S — CID 171060275

IUPAC2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCS(=O)c1c(OC(F)(F)F)ccc(C(=O)Nc2nnco2)c1Cl
InChIInChI=1S/C11H7ClF3N3O4S/c1-23(20)8-6(22-11(13,14)15)3-2-5(7(8)12)9(19)17-10-18-16-4-21-10/h2-4H,1H3,(H,17,18,19)
InChIKeyZPRMMWMAIBXUKN-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.61
Rot. Bonds4

About 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide

2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 171060275) has the molecular formula C11H7ClF3N3O4S and a molecular weight of 369.71 g/mol. Its IUPAC name is 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID171060275
Molecular FormulaC11H7ClF3N3O4S
Molecular Weight369.71 g/mol
Exact Mass368.98
IUPAC Name2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCS(=O)c1c(OC(F)(F)F)ccc(C(=O)Nc2nnco2)c1Cl
InChIInChI=1S/C11H7ClF3N3O4S/c1-23(20)8-6(22-11(13,14)15)3-2-5(7(8)12)9(19)17-10-18-16-4-21-10/h2-4H,1H3,(H,17,18,19)
InChIKeyZPRMMWMAIBXUKN-UHFFFAOYSA-N
XLogP2.61
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(difluoromethyl)-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)benzamide
CID 170647994
2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 170648000
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 164529259
2-chloro-4-(2,2-difluoroethoxy)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-3-methylsulfinylbenzamide
CID 166505037
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168840878
methyl 3-amino-2-chloro-4-(trifluoromethoxy)benzoate
CID 134645548
2-chloro-N-(1-ethyltetrazol-5-yl)-3-(2-methylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168841014
methyl 2-chloro-3-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethoxy)benzoate
CID 177043638
3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840965
2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 177043628
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-[2-(methoxymethyl)butanoylamino]-4-(trifluoromethoxy)benzamide
CID 168841097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide (CID 171060275) is 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide is CS(=O)c1c(OC(F)(F)F)ccc(C(=O)Nc2nnco2)c1Cl.
What is the InChIKey of 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is ZPRMMWMAIBXUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O4S/c1-23(20)8-6(22-11(13,14)15)3-2-5(7(8)12)9(19)17-10-18-16-4-21-10/h2-4H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide?
2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 369.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylsulfinyl-N-(1,3,4-oxadiazol-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 171060275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).