3-methyl-N-methylsulfonylbenzamide

C9H11NO3S — CID 18331681

IUPAC3-methyl-N-methylsulfonylbenzamide
SMILESCc1cccc(C(=O)NS(C)(=O)=O)c1
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)
InChIKeyMPWMUKIQSNVEST-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.68
Rot. Bonds2

About 3-methyl-N-methylsulfonylbenzamide

3-methyl-N-methylsulfonylbenzamide (PubChem CID 18331681) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-methyl-N-methylsulfonylbenzamide
PubChem CID18331681
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-methyl-N-methylsulfonylbenzamide
SMILESCc1cccc(C(=O)NS(C)(=O)=O)c1
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)
InChIKeyMPWMUKIQSNVEST-UHFFFAOYSA-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 ≤ 500213.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-methylsulfonylbenzamide;nonane;pentane
CID 143716658
2-deuterio-5-methyl-N-methylsulfonylbenzamide
CID 134967847
N-ethylsulfonyl-3-methylbenzamide
CID 18331692
3-bromo-N-methylsulfonylbenzamide
CID 47269279
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
3-methyl-N-pyrrolidin-1-ylsulfonylbenzamide
CID 47363389
5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
CID 146154732
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
3-(3-methylphenyl)-N-methylsulfonyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 146154438

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 3-methyl-N-methylsulfonylbenzamide (CID 18331681) is 3-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 3-methyl-N-methylsulfonylbenzamide is Cc1cccc(C(=O)NS(C)(=O)=O)c1.
What is the InChIKey of 3-methyl-N-methylsulfonylbenzamide?
The InChIKey is MPWMUKIQSNVEST-UHFFFAOYSA-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).
What are the key properties of 3-methyl-N-methylsulfonylbenzamide?
3-methyl-N-methylsulfonylbenzamide has a molecular weight of 213.26 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 3-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 18331681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).