2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide

C12H9ClF3N3O4S — CID 126673350

IUPAC2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2Cl)o1
InChIInChI=1S/C12H9ClF3N3O4S/c1-5-18-19-11(23-5)17-10(20)6-3-4-7(12(14,15)16)9(8(6)13)24(2,21)22/h3-4H,1-2H3,(H,17,19,20)
InChIKeyKOSQTMDWVSVXNQ-UHFFFAOYSA-N
MW383.74 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide

2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide (PubChem CID 126673350) has the molecular formula C12H9ClF3N3O4S and a molecular weight of 383.74 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
PubChem CID126673350
Molecular FormulaC12H9ClF3N3O4S
Molecular Weight383.74 g/mol
Exact Mass383.00
IUPAC Name2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2Cl)o1
InChIInChI=1S/C12H9ClF3N3O4S/c1-5-18-19-11(23-5)17-10(20)6-3-4-7(12(14,15)16)9(8(6)13)24(2,21)22/h3-4H,1-2H3,(H,17,19,20)
InChIKeyKOSQTMDWVSVXNQ-UHFFFAOYSA-N
XLogP2.71
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Flusulfinam
CID 156304554
2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(methylsulfonyl)-4-(trifluoromethyl)benzamide
CID 89620381
2-chloro-3-ethylsulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 91668283
2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
CID 122539812
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinyl-4-(trifluoromethyl)benzamide
CID 122539814
2-chloro-3-methoxysulfanyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 126582818
2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinyl-4-(trifluoromethyl)benzamide
CID 134351972
1-[[2-Chloro-3-methylsulfinyl-4-(trifluoromethyl)benzoyl]-(5-methyl-1,3,4-oxadiazol-2-yl)amino]ethyl ethyl carbonate
CID 135148937
2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfinylbenzamide
CID 135345838
2,4-dichloro-6-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanylbenzamide
CID 135345852
4-(difluoromethyl)-3-ethylsulfonyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 135371051
3-ethylsulfinyl-2-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 148151634

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide (CID 126673350) is 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide is Cc1nnc(NC(=O)c2ccc(C(F)(F)F)c(S(C)(=O)=O)c2Cl)o1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
The InChIKey is KOSQTMDWVSVXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O4S/c1-5-18-19-11(23-5)17-10(20)6-3-4-7(12(14,15)16)9(8(6)13)24(2,21)22/h3-4H,1-2H3,(H,17,19,20).
What are the key properties of 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide?
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide has a molecular weight of 383.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 126673350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).