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

C10H10ClN3O3S — CID 4899070

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H10ClN3O3S/c1-18(15,16)12-6-9-13-10(14-17-9)7-2-4-8(11)5-3-7/h2-5,12H,6H2,1H3
InChIKeyRYFCRGDMQMJHIA-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.44
Rot. Bonds4

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide (PubChem CID 4899070) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
PubChem CID4899070
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C10H10ClN3O3S/c1-18(15,16)12-6-9-13-10(14-17-9)7-2-4-8(11)5-3-7/h2-5,12H,6H2,1H3
InChIKeyRYFCRGDMQMJHIA-UHFFFAOYSA-N
XLogP1.44
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409
N-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide
CID 86959815
1-tert-butyl-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 86959809
N-[[(2R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 51937010
2-bromo-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 86959824
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86936083
5-[(dimethylsulfamoylamino)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 110322873

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide (CID 4899070) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
The InChIKey is RYFCRGDMQMJHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-18(15,16)12-6-9-13-10(14-17-9)7-2-4-8(11)5-3-7/h2-5,12H,6H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide has a molecular weight of 287.73 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 4899070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).