2-methyl-5-methylsulfonylbenzenesulfonamide

C8H11NO4S2 — CID 597880

IUPAC2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C8H11NO4S2/c1-6-3-4-7(14(2,10)11)5-8(6)15(9,12)13/h3-5H,1-2H3,(H2,9,12,13)
InChIKeyHOKCNQPJWCGBPW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.05
Rot. Bonds2

About 2-methyl-5-methylsulfonylbenzenesulfonamide

2-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 597880) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID597880
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC Name2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C8H11NO4S2/c1-6-3-4-7(14(2,10)11)5-8(6)15(9,12)13/h3-5H,1-2H3,(H2,9,12,13)
InChIKeyHOKCNQPJWCGBPW-UHFFFAOYSA-N
XLogP0.05
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
2-(ethylamino)-5-methylsulfonylbenzenesulfonamide
CID 61036669
3-N,4-dimethylbenzene-1,3-disulfonamide
CID 43363677
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide
CID 119982877
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275
2-methyl-5-methylsulfonyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 55904615
3-(4-aminophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565114
acetamide;4-methyl-3-methylsulfonylbenzenesulfonic acid
CID 174526101
2,4,5-trimethylbenzenesulfonamide
CID 961422
1-(2-methyl-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-amine
CID 119971740
2-methylbenzenesulfonamide
CID 6924

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-methyl-5-methylsulfonylbenzenesulfonamide (CID 597880) is 2-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-methyl-5-methylsulfonylbenzenesulfonamide is Cc1ccc(S(C)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is HOKCNQPJWCGBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-6-3-4-7(14(2,10)11)5-8(6)15(9,12)13/h3-5H,1-2H3,(H2,9,12,13).
What are the key properties of 2-methyl-5-methylsulfonylbenzenesulfonamide?
2-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 249.31 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 597880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).