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

C13H18N2O5S — CID 110710426

IUPAC2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1CN(C)C(=O)O1
InChIInChI=1S/C13H18N2O5S/c1-9-4-5-11(19-3)12(6-9)21(17,18)14-7-10-8-15(2)13(16)20-10/h4-6,10,14H,7-8H2,1-3H3
InChIKeyOJMCZOUFASOKRA-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.73
Rot. Bonds5

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

2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide (PubChem CID 110710426) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
PubChem CID110710426
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1CN(C)C(=O)O1
InChIInChI=1S/C13H18N2O5S/c1-9-4-5-11(19-3)12(6-9)21(17,18)14-7-10-8-15(2)13(16)20-10/h4-6,10,14H,7-8H2,1-3H3
InChIKeyOJMCZOUFASOKRA-UHFFFAOYSA-N
XLogP0.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110716987
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 16922517
2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40839197
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
(5S)-5-[(4-methoxyanilino)methyl]-3-methyl-1,3-oxazolidin-2-one
CID 59735380
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
2-methoxy-5-methyl-N-[2-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)ethyl]benzenesulfonamide
CID 110404885

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide (CID 110710426) is 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC1CN(C)C(=O)O1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The InChIKey is OJMCZOUFASOKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9-4-5-11(19-3)12(6-9)21(17,18)14-7-10-8-15(2)13(16)20-10/h4-6,10,14H,7-8H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide has a molecular weight of 314.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110710426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).