(3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide

C12H16Cl2N2O3S — CID 129429017

IUPAC(3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-3-15-20(17,18)10-7-19-16(2)12(10)8-5-4-6-9(13)11(8)14/h4-6,10,12,15H,3,7H2,1-2H3/t10-,12-/m0/s1
InChIKeyCPXPQBHBFCNASX-JQWIXIFHSA-N
MW339.24 g/mol
LogP2.22
Rot. Bonds4

About (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide

(3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 129429017) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide
PubChem CID129429017
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name(3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-3-15-20(17,18)10-7-19-16(2)12(10)8-5-4-6-9(13)11(8)14/h4-6,10,12,15H,3,7H2,1-2H3/t10-,12-/m0/s1
InChIKeyCPXPQBHBFCNASX-JQWIXIFHSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 42851281
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
(2,3,4,5,6-pentafluorophenyl) 3-(2-chlorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonate
CID 42851119
(3R,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxane-4-sulfonamide
CID 97177635
3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
CID 42869560
(3S,4R)-N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000509
3-(furan-2-yl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869504
3-[4-(dimethylamino)phenyl]-2-methyl-N-(2-methylpropyl)-1,2-oxazolidine-4-sulfonamide
CID 42851143
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
2-(2-chlorophenyl)-N-ethylmorpholine-4-sulfonamide
CID 110609436
3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
CID 46071315
3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42851273

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide (CID 129429017) is (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide is CCNS(=O)(=O)[C@H]1CON(C)[C@H]1c1cccc(Cl)c1Cl.
What is the InChIKey of (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is CPXPQBHBFCNASX-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-3-15-20(17,18)10-7-19-16(2)12(10)8-5-4-6-9(13)11(8)14/h4-6,10,12,15H,3,7H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide?
(3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(2,3-dichlorophenyl)-N-ethyl-2-methyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 129429017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).