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

C13H18N4O3S — CID 106401421

IUPAC4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)NCc2ncon2)cc1
InChIInChI=1S/C13H18N4O3S/c1-3-14-10(2)11-4-6-12(7-5-11)21(18,19)16-8-13-15-9-20-17-13/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyCDWVOBMGGVGUCZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.22
Rot. Bonds7

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

4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (PubChem CID 106401421) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
PubChem CID106401421
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)NCc2ncon2)cc1
InChIInChI=1S/C13H18N4O3S/c1-3-14-10(2)11-4-6-12(7-5-11)21(18,19)16-8-13-15-9-20-17-13/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyCDWVOBMGGVGUCZ-UHFFFAOYSA-N
XLogP1.22
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957667
4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
CID 63004765
4-(2-aminoethoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410993
3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176656
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553
4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63958315
4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
3-(aminomethyl)-4-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410846
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410526

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (CID 106401421) is 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is CCNC(C)c1ccc(S(=O)(=O)NCc2ncon2)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is CDWVOBMGGVGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-3-14-10(2)11-4-6-12(7-5-11)21(18,19)16-8-13-15-9-20-17-13/h4-7,9-10,14,16H,3,8H2,1-2H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106401421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).