3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide

C15H13ClN4O3S — CID 167783590

IUPAC3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide
SMILESNCc1noc(-c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)n1
InChIInChI=1S/C15H13ClN4O3S/c16-12-6-1-2-7-13(12)20-24(21,22)11-5-3-4-10(8-11)15-18-14(9-17)19-23-15/h1-8,20H,9,17H2
InChIKeySHUMRYQQOLVRDQ-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.65
Rot. Bonds5

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

3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide (PubChem CID 167783590) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide
PubChem CID167783590
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide
SMILESNCc1noc(-c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)n1
InChIInChI=1S/C15H13ClN4O3S/c16-12-6-1-2-7-13(12)20-24(21,22)11-5-3-4-10(8-11)15-18-14(9-17)19-23-15/h1-8,20H,9,17H2
InChIKeySHUMRYQQOLVRDQ-UHFFFAOYSA-N
XLogP2.65
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 166213096
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate
CID 25038213
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27210770
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 4898260
N-tert-butyl-3-[3-(1,2-oxazol-3-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 166213767
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide
CID 142088863

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide?
The IUPAC name of 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide (CID 167783590) is 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide is NCc1noc(-c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)n1.
What is the InChIKey of 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide?
The InChIKey is SHUMRYQQOLVRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c16-12-6-1-2-7-13(12)20-24(21,22)11-5-3-4-10(8-11)15-18-14(9-17)19-23-15/h1-8,20H,9,17H2.
What are the key properties of 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide?
3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide has a molecular weight of 364.81 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-N-(2-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 167783590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).