N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide

C16H15N3O5S2 — CID 71662151

IUPACN-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(Cc1nnc(CNS(=O)(=O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C16H15N3O5S2/c20-25(21,13-7-3-1-4-8-13)12-16-19-18-15(24-16)11-17-26(22,23)14-9-5-2-6-10-14/h1-10,17H,11-12H2
InChIKeyWABGYCFGELVCQN-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.52
Rot. Bonds7

About N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide

N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 71662151) has the molecular formula C16H15N3O5S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
PubChem CID71662151
Molecular FormulaC16H15N3O5S2
Molecular Weight393.45 g/mol
Exact Mass393.05
IUPAC NameN-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(Cc1nnc(CNS(=O)(=O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C16H15N3O5S2/c20-25(21,13-7-3-1-4-8-13)12-16-19-18-15(24-16)11-17-26(22,23)14-9-5-2-6-10-14/h1-10,17H,11-12H2
InChIKeyWABGYCFGELVCQN-UHFFFAOYSA-N
XLogP1.52
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 9189572
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
2-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656615
N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 102500653
N-[[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 102500654
5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
CID 22431959
N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110456476
[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 75356713
N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744
3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319345

Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (CID 71662151) is N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is O=S(=O)(Cc1nnc(CNS(=O)(=O)c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is WABGYCFGELVCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S2/c20-25(21,13-7-3-1-4-8-13)12-16-19-18-15(24-16)11-17-26(22,23)14-9-5-2-6-10-14/h1-10,17H,11-12H2.
What are the key properties of N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 393.45 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71662151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).