2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide

C14H20N2O6S — CID 110716987

IUPAC2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCC2CN(C)C(=O)O2)c1
InChIInChI=1S/C14H20N2O6S/c1-16-9-11(22-14(16)17)6-7-15-23(18,19)13-8-10(20-2)4-5-12(13)21-3/h4-5,8,11,15H,6-7,9H2,1-3H3
InChIKeyODHBVARUNXPVLC-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.82
Rot. Bonds7

About 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide (PubChem CID 110716987) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
PubChem CID110716987
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCC2CN(C)C(=O)O2)c1
InChIInChI=1S/C14H20N2O6S/c1-16-9-11(22-14(16)17)6-7-15-23(18,19)13-8-10(20-2)4-5-12(13)21-3/h4-5,8,11,15H,6-7,9H2,1-3H3
InChIKeyODHBVARUNXPVLC-UHFFFAOYSA-N
XLogP0.82
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110710426
2,4-dimethoxy-N-[2-(4-methylmorpholin-2-yl)ethyl]benzenesulfonamide
CID 110709979
2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722666
2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789260
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
(5S)-5-[(4-methoxyanilino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 59735380
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566
2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892761

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide (CID 110716987) is 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCC2CN(C)C(=O)O2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide?
The InChIKey is ODHBVARUNXPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-16-9-11(22-14(16)17)6-7-15-23(18,19)13-8-10(20-2)4-5-12(13)21-3/h4-5,8,11,15H,6-7,9H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110716987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).