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

C11H14N4O3S — CID 106401433

IUPAC4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NCc2ncon2)cc1
InChIInChI=1S/C11H14N4O3S/c1-8(12)9-2-4-10(5-3-9)19(16,17)14-6-11-13-7-18-15-11/h2-5,7-8,14H,6,12H2,1H3
InChIKeyNMEKSYLNVDQWPE-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.57
Rot. Bonds5

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

4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (PubChem CID 106401433) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
PubChem CID106401433
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)NCc2ncon2)cc1
InChIInChI=1S/C11H14N4O3S/c1-8(12)9-2-4-10(5-3-9)19(16,17)14-6-11-13-7-18-15-11/h2-5,7-8,14H,6,12H2,1H3
InChIKeyNMEKSYLNVDQWPE-UHFFFAOYSA-N
XLogP0.57
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401421
4-(2-aminoethoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410993
4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43097507
3-(aminomethyl)-4-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410846
1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106399137
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63959615
4-(1-aminoethyl)-N-tert-butylbenzenesulfonamide
CID 43102631
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410526
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (CID 106401433) is 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)NCc2ncon2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is NMEKSYLNVDQWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-8(12)9-2-4-10(5-3-9)19(16,17)14-6-11-13-7-18-15-11/h2-5,7-8,14H,6,12H2,1H3.
What are the key properties of 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106401433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).