3-chloro-2-fluoro-5-methylbenzenesulfonamide

C7H7ClFNO2S — CID 130912757

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

About 3-chloro-2-fluoro-5-methylbenzenesulfonamide

3-chloro-2-fluoro-5-methylbenzenesulfonamide (PubChem CID 130912757) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-methylbenzenesulfonamide
PubChem CID130912757
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name3-chloro-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(8)7(9)6(3-4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyMBQNIXKOLQLFDP-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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Related Compounds

3-Chloro-5-fluoro-2-methylbenzenesulfonamide
CID 2773665
2-Chloro-4-(trifluoromethyl)benzenesulfonamide
CID 2773925
3-Chloro-P-toluenesulfonamide
CID 256811
3-Chloro-2-methylbenzenesulfonamide
CID 817231
4-Chloro-m-toluenesulfonamide
CID 222557
5-Chloro-2-methylbenzenesulfonamide
CID 256619
2-Chloro-5-trifluoromethyl-benzenesulfonamide
CID 4131856
4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride
CID 18525934
5-Chloro-4-fluoro-2-methylbenzenesulfonyl chloride
CID 50998621
3-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 53338928
4-Chloro-3-(trifluoromethyl)benzenesulfonamide
CID 8317944
4-Chloro-3-methylbenzenesulfonamide
CID 226555

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-5-methylbenzenesulfonamide (CID 130912757) is 3-chloro-2-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-5-methylbenzenesulfonamide is Cc1cc(Cl)c(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-2-fluoro-5-methylbenzenesulfonamide?
The InChIKey is MBQNIXKOLQLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-4-2-5(8)7(9)6(3-4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 3-chloro-2-fluoro-5-methylbenzenesulfonamide?
3-chloro-2-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-2-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 130912757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).