1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine

C12H15ClN4O3S — CID 126819172

IUPAC1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C12H15ClN4O3S/c1-16(2)21(18,19)17(3)8-11-14-12(15-20-11)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3
InChIKeyWNSYUELCUABWLK-UHFFFAOYSA-N
MW330.80 g/mol
LogP1.63
Rot. Bonds5

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

1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine (PubChem CID 126819172) has the molecular formula C12H15ClN4O3S and a molecular weight of 330.80 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine
PubChem CID126819172
Molecular FormulaC12H15ClN4O3S
Molecular Weight330.80 g/mol
Exact Mass330.06
IUPAC Name1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C12H15ClN4O3S/c1-16(2)21(18,19)17(3)8-11-14-12(15-20-11)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3
InChIKeyWNSYUELCUABWLK-UHFFFAOYSA-N
XLogP1.63
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
CID 95209114
3-(3-chlorophenyl)-5-[(dimethylsulfamoylamino)methyl]-1,2,4-oxadiazole
CID 110293621
1-(2-chlorophenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 27097699
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
5-chloro-2-methoxy-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154205
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 78807499
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanesulfonamide
CID 53278196
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133199268
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100619235
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 52675924
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylazetidin-3-amine
CID 66181534

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine?
The IUPAC name of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine (CID 126819172) is 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine is CN(C)S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine?
The InChIKey is WNSYUELCUABWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3S/c1-16(2)21(18,19)17(3)8-11-14-12(15-20-11)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3.
What are the key properties of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine?
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine has a molecular weight of 330.80 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(dimethylsulfamoyl)-N-methylmethanamine is sourced from PubChem (CID 126819172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).