2-(2-methylphenyl)sulfonylacetamide

C9H11NO3S — CID 47361891

IUPAC2-(2-methylphenyl)sulfonylacetamide
SMILESCc1ccccc1S(=O)(=O)CC(N)=O
InChIInChI=1S/C9H11NO3S/c1-7-4-2-3-5-8(7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyVJQFITYPUKXBJD-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.25
Rot. Bonds3

About 2-(2-methylphenyl)sulfonylacetamide

2-(2-methylphenyl)sulfonylacetamide (PubChem CID 47361891) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfonylacetamide
PubChem CID47361891
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-(2-methylphenyl)sulfonylacetamide
SMILESCc1ccccc1S(=O)(=O)CC(N)=O
InChIInChI=1S/C9H11NO3S/c1-7-4-2-3-5-8(7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKeyVJQFITYPUKXBJD-UHFFFAOYSA-N
XLogP0.25
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-methylphenyl)sulfonylacetate
CID 60891426
2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632
2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
(2-methylphenyl)sulfonylurea
CID 20975378
2-[2-[(2-methylphenyl)sulfonylmethyl]phenyl]acetic acid
CID 115461297
6-(2-methylphenyl)sulfonylhexan-2-one
CID 64638073
2-methylbenzenesulfonic acid
CID 6925
2-methylbenzenesulfonamide
CID 6924
2-methylbenzenesulfonate;tetramethylphosphanium
CID 22725746
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
CID 64899074
2-(2-methylphenyl)sulfonylacetonitrile
CID 21255004

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(2-methylphenyl)sulfonylacetamide (CID 47361891) is 2-(2-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfonylacetamide is Cc1ccccc1S(=O)(=O)CC(N)=O.
What is the InChIKey of 2-(2-methylphenyl)sulfonylacetamide?
The InChIKey is VJQFITYPUKXBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7-4-2-3-5-8(7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11).
What are the key properties of 2-(2-methylphenyl)sulfonylacetamide?
2-(2-methylphenyl)sulfonylacetamide has a molecular weight of 213.26 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 47361891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).