1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide

C11H12ClN3O3S — CID 46970053

IUPAC1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2cccc(Cl)c2)no1
InChIInChI=1S/C11H12ClN3O3S/c1-8-14-11(15-18-8)6-13-19(16,17)7-9-3-2-4-10(12)5-9/h2-5,13H,6-7H2,1H3
InChIKeyJCFNRDLSZDVETM-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.65
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide (PubChem CID 46970053) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
PubChem CID46970053
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2cccc(Cl)c2)no1
InChIInChI=1S/C11H12ClN3O3S/c1-8-14-11(15-18-8)6-13-19(16,17)7-9-3-2-4-10(12)5-9/h2-5,13H,6-7H2,1H3
InChIKeyJCFNRDLSZDVETM-UHFFFAOYSA-N
XLogP1.65
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410708
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoylmethyl]benzenecarbothioamide
CID 106399385
1-[4-(methylaminomethyl)phenyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide
CID 106410779
1-[3-(aminomethyl)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106423664
2-amino-4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391941
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propane-1-sulfonamide
CID 106406470
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
1-(3,5-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078716
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
N-[[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62504123
4-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 114185417
N-[(3-chlorophenyl)methyl]propane-1-sulfonamide
CID 47105679

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide (CID 46970053) is 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide is Cc1nc(CNS(=O)(=O)Cc2cccc(Cl)c2)no1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
The InChIKey is JCFNRDLSZDVETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-8-14-11(15-18-8)6-13-19(16,17)7-9-3-2-4-10(12)5-9/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide has a molecular weight of 301.76 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 46970053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).