4-fluoro-2-methylbenzenesulfonamide

C7H8FNO2S — CID 854147

IUPAC4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C7H8FNO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyNNYVGGHJPLSSRQ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.78
Rot. Bonds1

About 4-fluoro-2-methylbenzenesulfonamide

4-fluoro-2-methylbenzenesulfonamide (PubChem CID 854147) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methylbenzenesulfonamide
PubChem CID854147
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C7H8FNO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyNNYVGGHJPLSSRQ-UHFFFAOYSA-N
XLogP0.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2-methylbenzenesulfonamide (CID 854147) is 4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of 4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is NNYVGGHJPLSSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 4-fluoro-2-methylbenzenesulfonamide?
4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 189.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 854147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).