3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

C9H10N4O3S — CID 114182887

IUPAC3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCc2ncon2)c1
InChIInChI=1S/C9H10N4O3S/c10-7-2-1-3-8(4-7)17(14,15)12-5-9-11-6-16-13-9/h1-4,6,12H,5,10H2
InChIKeyYSUDKJFEWPSTTD-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.13
Rot. Bonds4

About 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (PubChem CID 114182887) has the molecular formula C9H10N4O3S and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
PubChem CID114182887
Molecular FormulaC9H10N4O3S
Molecular Weight254.27 g/mol
Exact Mass254.05
IUPAC Name3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCc2ncon2)c1
InChIInChI=1S/C9H10N4O3S/c10-7-2-1-3-8(4-7)17(14,15)12-5-9-11-6-16-13-9/h1-4,6,12H,5,10H2
InChIKeyYSUDKJFEWPSTTD-UHFFFAOYSA-N
XLogP0.13
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
4-(2-aminoethoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410993
3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411260
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410526
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
2-amino-5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392142
5-amino-2,3-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392115
3-(aminomethyl)-4-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410846
3-amino-2,4-dichloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392127

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (CID 114182887) is 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)NCc2ncon2)c1.
What is the InChIKey of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is YSUDKJFEWPSTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3S/c10-7-2-1-3-8(4-7)17(14,15)12-5-9-11-6-16-13-9/h1-4,6,12H,5,10H2.
What are the key properties of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 254.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 114182887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).