2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C11H9Cl2N3O4S — CID 9188433

IUPAC2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCS(=O)(=O)c1nnc(CNC(=O)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H9Cl2N3O4S/c1-21(18,19)11-16-15-9(20-11)5-14-10(17)7-3-2-6(12)4-8(7)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyMVTIQELAVOLBSX-UHFFFAOYSA-N
MW350.18 g/mol
LogP1.71
Rot. Bonds4

About 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 9188433) has the molecular formula C11H9Cl2N3O4S and a molecular weight of 350.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID9188433
Molecular FormulaC11H9Cl2N3O4S
Molecular Weight350.18 g/mol
Exact Mass348.97
IUPAC Name2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCS(=O)(=O)c1nnc(CNC(=O)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C11H9Cl2N3O4S/c1-21(18,19)11-16-15-9(20-11)5-14-10(17)7-3-2-6(12)4-8(7)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyMVTIQELAVOLBSX-UHFFFAOYSA-N
XLogP1.71
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188783
2-[[(2,4-dichlorobenzoyl)amino]methyl]-4,5-dimethoxybenzenesulfonyl chloride
CID 46741538
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
(E)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 9188470
2,4-dichloro-N-(oxiran-2-ylmethyl)benzamide
CID 102548411
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 44921726
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318351

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 9188433) is 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is CS(=O)(=O)c1nnc(CNC(=O)c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is MVTIQELAVOLBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O4S/c1-21(18,19)11-16-15-9(20-11)5-14-10(17)7-3-2-6(12)4-8(7)13/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 350.18 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 9188433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).