4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide

C12H16N4O3S — CID 72923330

IUPAC4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide
SMILESCCCc1nnc(NCc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C12H16N4O3S/c1-2-3-11-15-16-12(19-11)14-8-9-4-6-10(7-5-9)20(13,17)18/h4-7H,2-3,8H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyBKLIVSFDFOAVDA-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.28
Rot. Bonds6

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

4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 72923330) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide
PubChem CID72923330
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide
SMILESCCCc1nnc(NCc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C12H16N4O3S/c1-2-3-11-15-16-12(19-11)14-8-9-4-6-10(7-5-9)20(13,17)18/h4-7H,2-3,8H2,1H3,(H,14,16)(H2,13,17,18)
InChIKeyBKLIVSFDFOAVDA-UHFFFAOYSA-N
XLogP1.28
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72904267
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]benzenesulfonamide
CID 106192567
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 62319235
4-[5-[(4-methoxycarbonylphenyl)methylamino]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 110456611
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 86782908
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
4-nonylbenzenesulfonamide
CID 19845394

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide (CID 72923330) is 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide is CCCc1nnc(NCc2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is BKLIVSFDFOAVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-3-11-15-16-12(19-11)14-8-9-4-6-10(7-5-9)20(13,17)18/h4-7H,2-3,8H2,1H3,(H,14,16)(H2,13,17,18).
What are the key properties of 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide?
4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-propyl-1,3,4-oxadiazol-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 72923330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).