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

C17H16ClN3O3S — CID 110323716

IUPAC2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1-c1noc(CCNS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C17H16ClN3O3S/c1-12-6-2-3-7-13(12)17-20-16(24-21-17)10-11-19-25(22,23)15-9-5-4-8-14(15)18/h2-9,19H,10-11H2,1H3
InChIKeyUONYSZTUIGZQIQ-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.22
Rot. Bonds6

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

2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 110323716) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID110323716
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccccc1-c1noc(CCNS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C17H16ClN3O3S/c1-12-6-2-3-7-13(12)17-20-16(24-21-17)10-11-19-25(22,23)15-9-5-4-8-14(15)18/h2-9,19H,10-11H2,1H3
InChIKeyUONYSZTUIGZQIQ-UHFFFAOYSA-N
XLogP3.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110323688
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
3,5-dimethyl-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110323711
4-bromo-N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4871374
N-[4-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylsulfamoyl]phenyl]acetamide
CID 4975425
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110323487
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110324097
1-(4-chlorophenyl)-3-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110323647
2,4-dimethoxy-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322786

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide (CID 110323716) is 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is Cc1ccccc1-c1noc(CCNS(=O)(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is UONYSZTUIGZQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-12-6-2-3-7-13(12)17-20-16(24-21-17)10-11-19-25(22,23)15-9-5-4-8-14(15)18/h2-9,19H,10-11H2,1H3.
What are the key properties of 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide?
2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110323716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).