N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H13N3O4S — CID 16822896

IUPACN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccccc3)o2)c1
InChIInChI=1S/C16H13N3O4S/c1-24(21,22)13-9-5-8-12(10-13)15-18-19-16(23-15)17-14(20)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19,20)
InChIKeyCOYFTASMGUFMOC-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.39
Rot. Bonds4

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

N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16822896) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16822896
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccccc3)o2)c1
InChIInChI=1S/C16H13N3O4S/c1-24(21,22)13-9-5-8-12(10-13)15-18-19-16(23-15)17-14(20)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19,20)
InChIKeyCOYFTASMGUFMOC-UHFFFAOYSA-N
XLogP2.39
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977226
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16854423
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41004356
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7655762
5-methyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43977835
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 41028239
3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227747
2,5-dichloro-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028245
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7267152
4-[(4-methoxyphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977232

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16822896) is N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3ccccc3)o2)c1.
What is the InChIKey of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is COYFTASMGUFMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-24(21,22)13-9-5-8-12(10-13)15-18-19-16(23-15)17-14(20)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19,20).
What are the key properties of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 343.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16822896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).