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

C15H14N4O4S — CID 110456476

IUPACN-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnc(Nc2cccc(O)c2)o1)c1ccccc1
InChIInChI=1S/C15H14N4O4S/c20-12-6-4-5-11(9-12)17-15-19-18-14(23-15)10-16-24(21,22)13-7-2-1-3-8-13/h1-9,16,20H,10H2,(H,17,19)
InChIKeyVAFQIYUZUABUDE-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.00
Rot. Bonds6

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

N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 110456476) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
PubChem CID110456476
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC NameN-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnc(Nc2cccc(O)c2)o1)c1ccccc1
InChIInChI=1S/C15H14N4O4S/c20-12-6-4-5-11(9-12)17-15-19-18-14(23-15)10-16-24(21,22)13-7-2-1-3-8-13/h1-9,16,20H,10H2,(H,17,19)
InChIKeyVAFQIYUZUABUDE-UHFFFAOYSA-N
XLogP2.00
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
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-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662151
3-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
CID 106966827
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]benzamide
CID 114003802
3-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 81259149
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106971403
N-[[5-[[(4-methylphenyl)sulfonylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 102500653
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 9189572
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319345
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (CID 110456476) is N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nnc(Nc2cccc(O)c2)o1)c1ccccc1.
What is the InChIKey of N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is VAFQIYUZUABUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c20-12-6-4-5-11(9-12)17-15-19-18-14(23-15)10-16-24(21,22)13-7-2-1-3-8-13/h1-9,16,20H,10H2,(H,17,19).
What are the key properties of N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 346.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-hydroxyanilino)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110456476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).