4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide

C13H18N4O3S — CID 106402266

IUPAC4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2noc(C)n2)cc1
InChIInChI=1S/C13H18N4O3S/c1-3-14-8-11-4-6-12(7-5-11)21(18,19)15-9-13-16-10(2)20-17-13/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyQDUTYEPUAJRCAT-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.97
Rot. Bonds7

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

4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (PubChem CID 106402266) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
PubChem CID106402266
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2noc(C)n2)cc1
InChIInChI=1S/C13H18N4O3S/c1-3-14-8-11-4-6-12(7-5-11)21(18,19)15-9-13-16-10(2)20-17-13/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyQDUTYEPUAJRCAT-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
4-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 5106222
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 114183282
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410408
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103697752
1-ethyl-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106410426
4-(ethylaminomethyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60822205
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide (CID 106402266) is 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCc2noc(C)n2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is QDUTYEPUAJRCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-3-14-8-11-4-6-12(7-5-11)21(18,19)15-9-13-16-10(2)20-17-13/h4-7,14-15H,3,8-9H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide?
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106402266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).