2-methoxy-3-methylsulfonylbenzamide

C9H11NO4S — CID 70437297

IUPAC2-methoxy-3-methylsulfonylbenzamide
SMILESCOc1c(C(N)=O)cccc1S(C)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-14-8-6(9(10)11)4-3-5-7(8)15(2,12)13/h3-5H,1-2H3,(H2,10,11)
InChIKeyOOKJILYSNZOKFT-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.20
Rot. Bonds3

About 2-methoxy-3-methylsulfonylbenzamide

2-methoxy-3-methylsulfonylbenzamide (PubChem CID 70437297) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-methoxy-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-3-methylsulfonylbenzamide
PubChem CID70437297
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-methoxy-3-methylsulfonylbenzamide
SMILESCOc1c(C(N)=O)cccc1S(C)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-14-8-6(9(10)11)4-3-5-7(8)15(2,12)13/h3-5H,1-2H3,(H2,10,11)
InChIKeyOOKJILYSNZOKFT-UHFFFAOYSA-N
XLogP0.20
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxybenzamide;hydrate
CID 141005510
ethane;2-methoxy-3-methoxycarbonylbenzenesulfonic acid
CID 175529964
2-(2,5-dichloro-3-methoxy-4-methylphenyl)sulfonylbenzamide
CID 164870421
3-(2-methoxy-3-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117461941
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223
3-(hydroxyiminomethyl)-2-methoxybenzamide
CID 143987330
2-methyl-6-methylsulfonylbenzamide
CID 153435750
2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
CID 117362805
3-[(2-methoxyphenyl)sulfonylamino]-2-methylbenzamide
CID 86983204
3-(4-formylphenyl)-2-methoxybenzamide
CID 58276598
2-[3-(benzenesulfonyl)propoxy]-3-methoxybenzamide
CID 47066495
2-(trifluoromethylsulfonyl)benzamide
CID 91145939

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylsulfonylbenzamide?
The IUPAC name of 2-methoxy-3-methylsulfonylbenzamide (CID 70437297) is 2-methoxy-3-methylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-3-methylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-3-methylsulfonylbenzamide is COc1c(C(N)=O)cccc1S(C)(=O)=O.
What is the InChIKey of 2-methoxy-3-methylsulfonylbenzamide?
The InChIKey is OOKJILYSNZOKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-14-8-6(9(10)11)4-3-5-7(8)15(2,12)13/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 2-methoxy-3-methylsulfonylbenzamide?
2-methoxy-3-methylsulfonylbenzamide has a molecular weight of 229.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylsulfonylbenzamide is sourced from PubChem (CID 70437297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).