2-fluoro-5-methyl-4-methylsulfonylaniline

C8H10FNO2S — CID 141321054

IUPAC2-fluoro-5-methyl-4-methylsulfonylaniline
SMILESCc1cc(N)c(F)cc1S(C)(=O)=O
InChIInChI=1S/C8H10FNO2S/c1-5-3-7(10)6(9)4-8(5)13(2,11)12/h3-4H,10H2,1-2H3
InChIKeyPVYWGGMHQGGQNU-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.12
Rot. Bonds1

About 2-fluoro-5-methyl-4-methylsulfonylaniline

2-fluoro-5-methyl-4-methylsulfonylaniline (PubChem CID 141321054) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-methylsulfonylaniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-methylsulfonylaniline
PubChem CID141321054
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name2-fluoro-5-methyl-4-methylsulfonylaniline
SMILESCc1cc(N)c(F)cc1S(C)(=O)=O
InChIInChI=1S/C8H10FNO2S/c1-5-3-7(10)6(9)4-8(5)13(2,11)12/h3-4H,10H2,1-2H3
InChIKeyPVYWGGMHQGGQNU-UHFFFAOYSA-N
XLogP1.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-methylsulfonylaniline?
The IUPAC name of 2-fluoro-5-methyl-4-methylsulfonylaniline (CID 141321054) is 2-fluoro-5-methyl-4-methylsulfonylaniline.
What is the SMILES notation for 2-fluoro-5-methyl-4-methylsulfonylaniline?
The canonical SMILES for 2-fluoro-5-methyl-4-methylsulfonylaniline is Cc1cc(N)c(F)cc1S(C)(=O)=O.
What is the InChIKey of 2-fluoro-5-methyl-4-methylsulfonylaniline?
The InChIKey is PVYWGGMHQGGQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-5-3-7(10)6(9)4-8(5)13(2,11)12/h3-4H,10H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-4-methylsulfonylaniline?
2-fluoro-5-methyl-4-methylsulfonylaniline has a molecular weight of 203.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-methylsulfonylaniline is sourced from PubChem (CID 141321054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).