2-methylbenzenesulfonamide

C7H9NO2S — CID 6924

IUPAC2-methylbenzenesulfonamide
SMILESCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyYCMLQMDWSXFTIF-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.64
Rot. Bonds1

About 2-methylbenzenesulfonamide

2-methylbenzenesulfonamide (PubChem CID 6924) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-methylbenzenesulfonamide
PubChem CID6924
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-methylbenzenesulfonamide
SMILESCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyYCMLQMDWSXFTIF-UHFFFAOYSA-N
XLogP0.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene
CID 68918682
2-methylbenzenesulfonic acid
CID 6925
ethane;2-methylbenzenesulfonic acid
CID 54049338
2-methylbenzenesulfonic acid;nickel
CID 174250296
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
benzene-1,2,3-triol;tris(2-methylbenzenesulfonic acid)
CID 175309354
(2-methylphenyl)sulfonylurea
CID 20975378
2-methyl-N-(2-sulfamoylphenyl)benzamide
CID 61130901
2-sulfanylbenzenesulfonamide
CID 11041532
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
methanidyl-(2-methylphenyl)sulfonylazanium
CID 59280516
2-methylbenzenesulfonate;tetramethylphosphanium
CID 22725746

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzenesulfonamide?
The IUPAC name of 2-methylbenzenesulfonamide (CID 6924) is 2-methylbenzenesulfonamide.
What is the SMILES notation for 2-methylbenzenesulfonamide?
The canonical SMILES for 2-methylbenzenesulfonamide is Cc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-methylbenzenesulfonamide?
The InChIKey is YCMLQMDWSXFTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10).
What are the key properties of 2-methylbenzenesulfonamide?
2-methylbenzenesulfonamide has a molecular weight of 171.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzenesulfonamide is sourced from PubChem (CID 6924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).