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

C12H16N4O3S — CID 106408027

IUPAC2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCCc1ncon1
InChIInChI=1S/C12H16N4O3S/c1-2-13-10-5-3-4-6-11(10)20(17,18)15-8-7-12-14-9-19-16-12/h3-6,9,13,15H,2,7-8H2,1H3
InChIKeyCGOPGJWNXNUEAB-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.02
Rot. Bonds7

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

2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106408027) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106408027
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NCCc1ncon1
InChIInChI=1S/C12H16N4O3S/c1-2-13-10-5-3-4-6-11(10)20(17,18)15-8-7-12-14-9-19-16-12/h3-6,9,13,15H,2,7-8H2,1H3
InChIKeyCGOPGJWNXNUEAB-UHFFFAOYSA-N
XLogP1.02
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
3-(methylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-sulfonamide
CID 106408023
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019
2-(ethylamino)-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 62147752
2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106410619
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
3-amino-2-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106408060
3-methylsulfonyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394075
2-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231081
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide
CID 106402385
5-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392465
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 106408027) is 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NCCc1ncon1.
What is the InChIKey of 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is CGOPGJWNXNUEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-13-10-5-3-4-6-11(10)20(17,18)15-8-7-12-14-9-19-16-12/h3-6,9,13,15H,2,7-8H2,1H3.
What are the key properties of 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106408027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).