5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide

C12H13ClN2O6S — CID 119105417

IUPAC5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCN1C(=O)COC1=O
InChIInChI=1S/C12H13ClN2O6S/c1-20-9-3-2-8(13)6-10(9)22(18,19)14-4-5-15-11(16)7-21-12(15)17/h2-3,6,14H,4-5,7H2,1H3
InChIKeyCVGSPMAWBZPHIV-UHFFFAOYSA-N
MW348.76 g/mol
LogP0.61
Rot. Bonds6

About 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 119105417) has the molecular formula C12H13ClN2O6S and a molecular weight of 348.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID119105417
Molecular FormulaC12H13ClN2O6S
Molecular Weight348.76 g/mol
Exact Mass348.02
IUPAC Name5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCN1C(=O)COC1=O
InChIInChI=1S/C12H13ClN2O6S/c1-20-9-3-2-8(13)6-10(9)22(18,19)14-4-5-15-11(16)7-21-12(15)17/h2-3,6,14H,4-5,7H2,1H3
InChIKeyCVGSPMAWBZPHIV-UHFFFAOYSA-N
XLogP0.61
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide with MolForge

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Related Compounds

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5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-2-methoxy-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide (CID 119105417) is 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCN1C(=O)COC1=O.
What is the InChIKey of 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is CVGSPMAWBZPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O6S/c1-20-9-3-2-8(13)6-10(9)22(18,19)14-4-5-15-11(16)7-21-12(15)17/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 348.76 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 119105417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).