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2-Methylbenzenesulfonamide

C7H9NO2S — CID 6924

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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Sources

  • PubChem CID 6924 — identifiers, structure, computed properties (public domain)

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