4-chloro-3-fluoro-5-methylbenzenesulfonamide

C7H7ClFNO2S — CID 118838881

IUPAC4-chloro-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(F)c1Cl
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(13(10,11)12)3-6(9)7(4)8/h2-3H,1H3,(H2,10,11,12)
InChIKeyYANHECWZLNBXDO-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.43
Rot. Bonds1

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

4-chloro-3-fluoro-5-methylbenzenesulfonamide (PubChem CID 118838881) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-chloro-3-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-5-methylbenzenesulfonamide
PubChem CID118838881
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name4-chloro-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(F)c1Cl
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(13(10,11)12)3-6(9)7(4)8/h2-3H,1H3,(H2,10,11,12)
InChIKeyYANHECWZLNBXDO-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-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
4-chloro-5-methylbenzene-1,3-disulfonamide
CID 134098209
2-chloro-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454798
2-chloro-5-fluoro-3-methylbenzenesulfonamide
CID 119005031
2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454116
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
4-chloro-3,5-difluorobenzenesulfonyl chloride
CID 84705948
4-chloro-2-fluoro-5-methylbenzenesulfonamide
CID 71106537
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
3-chloro-5-methyl-4-nitrobenzenesulfonamide
CID 135743483
4-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]-3,5-difluorobenzenesulfonamide
CID 118155183
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-fluoro-5-methylbenzenesulfonamide (CID 118838881) is 4-chloro-3-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-fluoro-5-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(F)c1Cl.
What is the InChIKey of 4-chloro-3-fluoro-5-methylbenzenesulfonamide?
The InChIKey is YANHECWZLNBXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-4-2-5(13(10,11)12)3-6(9)7(4)8/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 4-chloro-3-fluoro-5-methylbenzenesulfonamide?
4-chloro-3-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-3-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 118838881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).