N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide

C13H14Cl2N2O3S — CID 71997732

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C13H14Cl2N2O3S/c1-2-17(8-10-3-4-12(14)13(15)7-10)21(18,19)9-11-5-6-20-16-11/h3-7H,2,8-9H2,1H3
InChIKeyYYMDQYPXLAFCNT-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.33
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71997732) has the molecular formula C13H14Cl2N2O3S and a molecular weight of 349.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71997732
Molecular FormulaC13H14Cl2N2O3S
Molecular Weight349.24 g/mol
Exact Mass348.01
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccon1
InChIInChI=1S/C13H14Cl2N2O3S/c1-2-17(8-10-3-4-12(14)13(15)7-10)21(18,19)9-11-5-6-20-16-11/h3-7H,2,8-9H2,1H3
InChIKeyYYMDQYPXLAFCNT-UHFFFAOYSA-N
XLogP3.33
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethylethanesulfonamide
CID 61361658
N-methyl-N-(1,2-oxazol-3-ylmethyl)sulfamoyl chloride
CID 165491085
N-[(3,4-dichlorophenyl)methyl]-N-methylmethanesulfonamide
CID 60681368
N-ethyl-N-(1H-indol-5-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 119045405
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990
1-(3,4-dichlorophenyl)-N-methyl-N-pentan-3-ylmethanesulfonamide
CID 56582136
N-[(3,4-dichlorophenyl)methyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 6459025
1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide
CID 56512863
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
1-(3,4-dichlorophenyl)-N-methyl-N-(4-methylpentan-2-yl)methanesulfonamide
CID 56582138
3-[[methyl(sulfamoyl)amino]methyl]-1,2-oxazole
CID 131134640

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71997732) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide is CCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccon1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is YYMDQYPXLAFCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3S/c1-2-17(8-10-3-4-12(14)13(15)7-10)21(18,19)9-11-5-6-20-16-11/h3-7H,2,8-9H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 349.24 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71997732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).