3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

C11H14N4O3S — CID 106411260

IUPAC3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCCc2ncon2)c1
InChIInChI=1S/C11H14N4O3S/c12-7-9-2-1-3-10(6-9)19(16,17)14-5-4-11-13-8-18-15-11/h1-3,6,8,14H,4-5,7,12H2
InChIKeyHHSWLYZAUAYHNM-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.05
Rot. Bonds6

About 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106411260) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106411260
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCCc2ncon2)c1
InChIInChI=1S/C11H14N4O3S/c12-7-9-2-1-3-10(6-9)19(16,17)14-5-4-11-13-8-18-15-11/h1-3,6,8,14H,4-5,7,12H2
InChIKeyHHSWLYZAUAYHNM-UHFFFAOYSA-N
XLogP0.05
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 106401477
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459
3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106407015
5-(aminomethyl)-3-fluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411399
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 114183471
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106335796
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411354
3-(aminomethyl)-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093703

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 106411260) is 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is NCc1cccc(S(=O)(=O)NCCc2ncon2)c1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is HHSWLYZAUAYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c12-7-9-2-1-3-10(6-9)19(16,17)14-5-4-11-13-8-18-15-11/h1-3,6,8,14H,4-5,7,12H2.
What are the key properties of 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106411260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).