2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

C13H17N3O4S — CID 106410619

IUPAC2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(CO)cc1S(=O)(=O)NCCc1ncon1
InChIInChI=1S/C13H17N3O4S/c1-2-11-4-3-10(8-17)7-12(11)21(18,19)15-6-5-13-14-9-20-16-13/h3-4,7,9,15,17H,2,5-6,8H2,1H3
InChIKeyJBIVWKKGWJQYJE-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.65
Rot. Bonds7

About 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106410619) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106410619
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(CO)cc1S(=O)(=O)NCCc1ncon1
InChIInChI=1S/C13H17N3O4S/c1-2-11-4-3-10(8-17)7-12(11)21(18,19)15-6-5-13-14-9-20-16-13/h3-4,7,9,15,17H,2,5-6,8H2,1H3
InChIKeyJBIVWKKGWJQYJE-UHFFFAOYSA-N
XLogP0.65
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
CID 106410644
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106408027
5-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392465
5-(aminomethyl)-3-fluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411399
3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411354
5-(hydroxymethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106410661
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019
5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106395240
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 106401477

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 106410619) is 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is CCc1ccc(CO)cc1S(=O)(=O)NCCc1ncon1.
What is the InChIKey of 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is JBIVWKKGWJQYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-2-11-4-3-10(8-17)7-12(11)21(18,19)15-6-5-13-14-9-20-16-13/h3-4,7,9,15,17H,2,5-6,8H2,1H3.
What are the key properties of 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106410619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).