3-chloro-4-fluoro-5-methylbenzenesulfonamide

C7H7ClFNO2S — CID 130838384

IUPAC3-chloro-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(Cl)c1F
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,1H3,(H2,10,11,12)
InChIKeySKCQJLLUQOBYEG-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.43
Rot. Bonds1

About 3-chloro-4-fluoro-5-methylbenzenesulfonamide

3-chloro-4-fluoro-5-methylbenzenesulfonamide (PubChem CID 130838384) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-chloro-4-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-5-methylbenzenesulfonamide
PubChem CID130838384
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name3-chloro-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(Cl)c1F
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,1H3,(H2,10,11,12)
InChIKeySKCQJLLUQOBYEG-UHFFFAOYSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-5-methylbenzenesulfonamide (CID 130838384) is 3-chloro-4-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-5-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(Cl)c1F.
What is the InChIKey of 3-chloro-4-fluoro-5-methylbenzenesulfonamide?
The InChIKey is SKCQJLLUQOBYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 3-chloro-4-fluoro-5-methylbenzenesulfonamide?
3-chloro-4-fluoro-5-methylbenzenesulfonamide has a molecular weight of 223.66 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 130838384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).