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

C16H16N4O5S2 — CID 71662153

IUPACN-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnc(CNS(=O)(=O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C16H16N4O5S2/c21-26(22,13-7-3-1-4-8-13)17-11-15-19-20-16(25-15)12-18-27(23,24)14-9-5-2-6-10-14/h1-10,17-18H,11-12H2
InChIKeyHZZBIIYBQPBQLD-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.03
Rot. Bonds8

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

N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 71662153) has the molecular formula C16H16N4O5S2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
PubChem CID71662153
Molecular FormulaC16H16N4O5S2
Molecular Weight408.46 g/mol
Exact Mass408.06
IUPAC NameN-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnc(CNS(=O)(=O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C16H16N4O5S2/c21-26(22,13-7-3-1-4-8-13)17-11-15-19-20-16(25-15)12-18-27(23,24)14-9-5-2-6-10-14/h1-10,17-18H,11-12H2
InChIKeyHZZBIIYBQPBQLD-UHFFFAOYSA-N
XLogP1.03
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662151
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 9189572
N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 102500653
N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110456476
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319345
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110318486
4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319079
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318432
4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458

Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (CID 71662153) is N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nnc(CNS(=O)(=O)c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is HZZBIIYBQPBQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S2/c21-26(22,13-7-3-1-4-8-13)17-11-15-19-20-16(25-15)12-18-27(23,24)14-9-5-2-6-10-14/h1-10,17-18H,11-12H2.
What are the key properties of N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 408.46 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71662153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).