6-chloro-2-fluoro-3-methylbenzenesulfonamide

C7H7ClFNO2S — CID 67530426

IUPAC6-chloro-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(N)(=O)=O)c1F
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-3-5(8)7(6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyYEFISDKGQRWJEH-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.43
Rot. Bonds1

About 6-chloro-2-fluoro-3-methylbenzenesulfonamide

6-chloro-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 67530426) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methylbenzenesulfonamide
PubChem CID67530426
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name6-chloro-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1ccc(Cl)c(S(N)(=O)=O)c1F
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-3-5(8)7(6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyYEFISDKGQRWJEH-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 6-chloro-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of 6-chloro-2-fluoro-3-methylbenzenesulfonamide (CID 67530426) is 6-chloro-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for 6-chloro-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for 6-chloro-2-fluoro-3-methylbenzenesulfonamide is Cc1ccc(Cl)c(S(N)(=O)=O)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is YEFISDKGQRWJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-4-2-3-5(8)7(6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 6-chloro-2-fluoro-3-methylbenzenesulfonamide?
6-chloro-2-fluoro-3-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 6-chloro-2-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 67530426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).