2,4,5-trimethylbenzenesulfonamide

C9H13NO2S — CID 961422

IUPAC2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C9H13NO2S/c1-6-4-8(3)9(5-7(6)2)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyJEUPYYVSBPSDCH-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.26
Rot. Bonds1

About 2,4,5-trimethylbenzenesulfonamide

2,4,5-trimethylbenzenesulfonamide (PubChem CID 961422) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethylbenzenesulfonamide
PubChem CID961422
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C9H13NO2S/c1-6-4-8(3)9(5-7(6)2)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyJEUPYYVSBPSDCH-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-5-sulfanylbenzenesulfonamide
CID 67169814
4-ethyl-2,5-dimethylbenzenesulfonamide
CID 58979780
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide
CID 112551846
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
2-methyl-5-methylsulfonylbenzenesulfonamide
CID 597880
2-bromo-5-iodo-4-methylbenzenesulfonamide
CID 171033366
2,3,5,6-tetramethylbenzenesulfonamide
CID 5028412

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of 2,4,5-trimethylbenzenesulfonamide (CID 961422) is 2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for 2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(N)(=O)=O)cc1C.
What is the InChIKey of 2,4,5-trimethylbenzenesulfonamide?
The InChIKey is JEUPYYVSBPSDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-4-8(3)9(5-7(6)2)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 2,4,5-trimethylbenzenesulfonamide?
2,4,5-trimethylbenzenesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 961422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).