2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide

C14H11ClF3N3O3S — CID 170648000

IUPAC2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(C(F)(F)F)c([S@@](=O)C3CC3)c2Cl)o1
InChIInChI=1S/C14H11ClF3N3O3S/c1-6-20-21-13(24-6)19-12(22)8-4-5-9(14(16,17)18)11(10(8)15)25(23)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,19,21,22)/t25-/m0/s1
InChIKeyORDQOJPKYTUZHC-VWLOTQADSA-N
MW393.77 g/mol
LogP3.57
Rot. Bonds4

About 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide

2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 170648000) has the molecular formula C14H11ClF3N3O3S and a molecular weight of 393.77 g/mol. Its IUPAC name is 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID170648000
Molecular FormulaC14H11ClF3N3O3S
Molecular Weight393.77 g/mol
Exact Mass393.02
IUPAC Name2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(C(F)(F)F)c([S@@](=O)C3CC3)c2Cl)o1
InChIInChI=1S/C14H11ClF3N3O3S/c1-6-20-21-13(24-6)19-12(22)8-4-5-9(14(16,17)18)11(10(8)15)25(23)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,19,21,22)/t25-/m0/s1
InChIKeyORDQOJPKYTUZHC-VWLOTQADSA-N
XLogP3.57
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Flusulfinam
CID 156304554
2-chloro-3-ethylsulfonyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 91668283
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-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-methylsulfonyl-4-(trifluoromethyl)benzamide
CID 126673350
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-ethylsulfinyl-2-methyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 135371380
3-ethylsulfanyl-2-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 148064380
3-ethylsulfinyl-2-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 148151634
3-ethylsulfinyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 156304546

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 170648000) is 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide is Cc1nnc(NC(=O)c2ccc(C(F)(F)F)c([S@@](=O)C3CC3)c2Cl)o1.
What is the InChIKey of 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is ORDQOJPKYTUZHC-VWLOTQADSA-N. The full InChI is InChI=1S/C14H11ClF3N3O3S/c1-6-20-21-13(24-6)19-12(22)8-4-5-9(14(16,17)18)11(10(8)15)25(23)7-2-3-7/h4-5,7H,2-3H2,1H3,(H,19,21,22)/t25-/m0/s1.
What are the key properties of 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide?
2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 393.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(S)-cyclopropylsulfinyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 170648000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).