2-deuterio-5-methyl-N-methylsulfonylbenzamide

C9H11NO3S — CID 134967847

IUPAC2-deuterio-5-methyl-N-methylsulfonylbenzamide
SMILES[2H]c1ccc(C)cc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H11NO3S/c1-7-4-3-5-8(6-7)9(11)10-14(2,12)13/h3-6H,1-2H3,(H,10,11)/i5D
InChIKeyMPWMUKIQSNVEST-UICOGKGYSA-N
MW214.26 g/mol
LogP0.68
Rot. Bonds2

About 2-deuterio-5-methyl-N-methylsulfonylbenzamide

2-deuterio-5-methyl-N-methylsulfonylbenzamide (PubChem CID 134967847) has the molecular formula C9H11NO3S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-deuterio-5-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-deuterio-5-methyl-N-methylsulfonylbenzamide
PubChem CID134967847
Molecular FormulaC9H11NO3S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2-deuterio-5-methyl-N-methylsulfonylbenzamide
SMILES[2H]c1ccc(C)cc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H11NO3S/c1-7-4-3-5-8(6-7)9(11)10-14(2,12)13/h3-6H,1-2H3,(H,10,11)/i5D
InChIKeyMPWMUKIQSNVEST-UICOGKGYSA-N
XLogP0.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-methylsulfonylbenzamide
CID 18331681
3-methyl-N-methylsulfonylbenzamide;nonane;pentane
CID 143716658
5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
CID 146154732
N-ethylsulfonyl-3-methylbenzamide
CID 18331692
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069
3-bromo-N-methylsulfonylbenzamide
CID 47269279
sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide
CID 87763473
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
CID 47363389
3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 146154438
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
3-hydroxy-4-iodo-N-methylsulfonylbenzamide
CID 148644592

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-5-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 2-deuterio-5-methyl-N-methylsulfonylbenzamide (CID 134967847) is 2-deuterio-5-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-deuterio-5-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 2-deuterio-5-methyl-N-methylsulfonylbenzamide is [2H]c1ccc(C)cc1C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-deuterio-5-methyl-N-methylsulfonylbenzamide?
The InChIKey is MPWMUKIQSNVEST-UICOGKGYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7-4-3-5-8(6-7)9(11)10-14(2,12)13/h3-6H,1-2H3,(H,10,11)/i5D.
What are the key properties of 2-deuterio-5-methyl-N-methylsulfonylbenzamide?
2-deuterio-5-methyl-N-methylsulfonylbenzamide has a molecular weight of 214.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-5-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 134967847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).