3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide

C18H20Cl2N2O3S — CID 46071143

IUPAC3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(NS(=O)(=O)C1CON(C)C1c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(13-6-4-3-5-7-13)21-26(23,24)17-11-25-22(2)18(17)14-8-9-15(19)16(20)10-14/h3-10,12,17-18,21H,11H2,1-2H3
InChIKeyHOZRGHLPDIKPNM-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.96
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide

3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071143) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID46071143
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCC(NS(=O)(=O)C1CON(C)C1c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(13-6-4-3-5-7-13)21-26(23,24)17-11-25-22(2)18(17)14-8-9-15(19)16(20)10-14/h3-10,12,17-18,21H,11H2,1-2H3
InChIKeyHOZRGHLPDIKPNM-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide (CID 46071143) is 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide is CC(NS(=O)(=O)C1CON(C)C1c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is HOZRGHLPDIKPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-12(13-6-4-3-5-7-13)21-26(23,24)17-11-25-22(2)18(17)14-8-9-15(19)16(20)10-14/h3-10,12,17-18,21H,11H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide?
3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 415.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-methyl-N-(1-phenylethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).