2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide

C13H18N4O3S — CID 106403815

IUPAC2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCCc1ncno1
InChIInChI=1S/C13H18N4O3S/c1-2-8-17-21(18,19)12-6-4-3-5-11(12)14-9-7-13-15-10-16-20-13/h3-6,10,14,17H,2,7-9H2,1H3
InChIKeyGXAZHCJVWRANFA-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.41
Rot. Bonds8

About 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide (PubChem CID 106403815) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
PubChem CID106403815
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCCc1ncno1
InChIInChI=1S/C13H18N4O3S/c1-2-8-17-21(18,19)12-6-4-3-5-11(12)14-9-7-13-15-10-16-20-13/h3-6,10,14,17H,2,7-9H2,1H3
InChIKeyGXAZHCJVWRANFA-UHFFFAOYSA-N
XLogP1.41
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106407931
5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393853
5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744466
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)ethanesulfonamide
CID 114185436
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392278
4-amino-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392253
2-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106411220
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
4-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106402341

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide (CID 106403815) is 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NCCc1ncno1.
What is the InChIKey of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide?
The InChIKey is GXAZHCJVWRANFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-8-17-21(18,19)12-6-4-3-5-11(12)14-9-7-13-15-10-16-20-13/h3-6,10,14,17H,2,7-9H2,1H3.
What are the key properties of 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide?
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 106403815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).