4-chloro-2-fluoro-3-methylbenzenesulfonamide

C7H7ClFNO2S — CID 118845025

IUPAC4-chloro-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1c(Cl)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C7H7ClFNO2S/c1-4-5(8)2-3-6(7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyPGPHDSYMJHUWGR-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.43
Rot. Bonds1

About 4-chloro-2-fluoro-3-methylbenzenesulfonamide

4-chloro-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 118845025) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-3-methylbenzenesulfonamide
PubChem CID118845025
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name4-chloro-2-fluoro-3-methylbenzenesulfonamide
SMILESCc1c(Cl)ccc(S(N)(=O)=O)c1F
InChIInChI=1S/C7H7ClFNO2S/c1-4-5(8)2-3-6(7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyPGPHDSYMJHUWGR-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
4-Chloro-2,5-dimethylbenzenesulfonamide
CID 2735730
3-Chloro-P-toluenesulfonamide
CID 256811
3-Chloro-2-methylbenzenesulfonamide
CID 817231
4-Chloro-3-methylbenzene-1-sulfonyl chloride
CID 221001
4-chloro-N-methyl-3-(trifluoromethyl)benzene-1-sulfonamide
CID 4557473
4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride
CID 2780719
4-Chloro-m-toluenesulfonamide
CID 222557
2,4-Dichloro-5-methylbenzenesulfonamide
CID 2799397
2-Chloro-5-trifluoromethyl-benzenesulfonamide
CID 4131856
2,4-Dichloro-3-methylbenzene-1-sulfonyl chloride
CID 15725374
4-Chloro-2-fluoro-5-methylbenzenesulfonyl chloride
CID 18525934

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-3-methylbenzenesulfonamide (CID 118845025) is 4-chloro-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-3-methylbenzenesulfonamide is Cc1c(Cl)ccc(S(N)(=O)=O)c1F.
What is the InChIKey of 4-chloro-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is PGPHDSYMJHUWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-4-5(8)2-3-6(7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 4-chloro-2-fluoro-3-methylbenzenesulfonamide?
4-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 4-chloro-2-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 118845025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).