3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide

C16H26N2O5S — CID 46043924

IUPAC3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc(C2C(S(=O)(=O)N(C)C(C)C)CON2C)c1OC
InChIInChI=1S/C16H26N2O5S/c1-11(2)18(4)24(19,20)14-10-23-17(3)15(14)12-8-7-9-13(21-5)16(12)22-6/h7-9,11,14-15H,10H2,1-6H3
InChIKeyIQQYXDDWDUSNQA-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.66
Rot. Bonds6

About 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide

3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide (PubChem CID 46043924) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide
PubChem CID46043924
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide
SMILESCOc1cccc(C2C(S(=O)(=O)N(C)C(C)C)CON2C)c1OC
InChIInChI=1S/C16H26N2O5S/c1-11(2)18(4)24(19,20)14-10-23-17(3)15(14)12-8-7-9-13(21-5)16(12)22-6/h7-9,11,14-15H,10H2,1-6H3
InChIKeyIQQYXDDWDUSNQA-UHFFFAOYSA-N
XLogP1.66
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide (CID 46043924) is 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide is COc1cccc(C2C(S(=O)(=O)N(C)C(C)C)CON2C)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is IQQYXDDWDUSNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-11(2)18(4)24(19,20)14-10-23-17(3)15(14)12-8-7-9-13(21-5)16(12)22-6/h7-9,11,14-15H,10H2,1-6H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide?
3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N,2-dimethyl-N-propan-2-yl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46043924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).