4-chloro-2-fluoro-5-methylbenzenesulfonamide

C7H7ClFNO2S — CID 71106537

IUPAC4-chloro-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3,(H2,10,11,12)
InChIKeyOVCIFPGKTSSQLH-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.43
Rot. Bonds1

About 4-chloro-2-fluoro-5-methylbenzenesulfonamide

4-chloro-2-fluoro-5-methylbenzenesulfonamide (PubChem CID 71106537) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-methylbenzenesulfonamide
PubChem CID71106537
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name4-chloro-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(F)cc1Cl
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3,(H2,10,11,12)
InChIKeyOVCIFPGKTSSQLH-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

2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916
N-(5-fluoro-2-methyl-4-sulfamoylphenyl)acetamide
CID 20553706
2-chloro-5-fluoro-3-methylbenzenesulfonamide
CID 119005031
1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
CID 19736981
2,4,5-trimethylbenzenesulfonamide
CID 961422
4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
CID 22747285
4-chloro-5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179813
4-chloro-2,5-dimethylbenzenesulfonic acid
CID 14910662
2-chloro-4-fluoro-6-methylbenzenesulfonamide
CID 119007559
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881
2-chloro-5-fluoropyridine-4-sulfonamide
CID 146570628
4-chloro-2,5-dimethylbenzenesulfonohydrazide
CID 2799465

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-5-methylbenzenesulfonamide (CID 71106537) is 4-chloro-2-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-5-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-methylbenzenesulfonamide?
The InChIKey is OVCIFPGKTSSQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 4-chloro-2-fluoro-5-methylbenzenesulfonamide?
4-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 4-chloro-2-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 71106537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).