2-chloro-4-fluoro-6-methylbenzenesulfonamide

C7H7ClFNO2S — CID 119007559

IUPAC2-chloro-4-fluoro-6-methylbenzenesulfonamide
SMILESCc1cc(F)cc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(9)3-6(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyOXGFRIUKSJCHBN-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.43
Rot. Bonds1

About 2-chloro-4-fluoro-6-methylbenzenesulfonamide

2-chloro-4-fluoro-6-methylbenzenesulfonamide (PubChem CID 119007559) has the molecular formula C7H7ClFNO2S and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-methylbenzenesulfonamide
PubChem CID119007559
Molecular FormulaC7H7ClFNO2S
Molecular Weight223.66 g/mol
Exact Mass222.99
IUPAC Name2-chloro-4-fluoro-6-methylbenzenesulfonamide
SMILESCc1cc(F)cc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C7H7ClFNO2S/c1-4-2-5(9)3-6(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyOXGFRIUKSJCHBN-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-chloro-5-fluoro-3-methylbenzenesulfonamide
CID 119005031
2,6-dichloro-4-fluorobenzenesulfonohydrazide
CID 171367534
2,4,6-trifluorobenzenesulfonamide
CID 2778291
2-amino-4-chloro-6-methylbenzenesulfonamide
CID 142791443
4-chloro-2-fluoro-5-methylbenzenesulfonamide
CID 71106537
2-bromo-3-chloro-5-fluorobenzenesulfonamide
CID 131622380
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
2-bromo-1-chloro-5-fluoro-3-methylbenzene
CID 50998614
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326661
2,3,5,6-tetramethylbenzenesulfonamide
CID 5028412
1-chloro-5-fluoro-3-methyl-2-methylsulfanylbenzene
CID 119009781
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-6-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-6-methylbenzenesulfonamide (CID 119007559) is 2-chloro-4-fluoro-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-6-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-6-methylbenzenesulfonamide is Cc1cc(F)cc(Cl)c1S(N)(=O)=O.
What is the InChIKey of 2-chloro-4-fluoro-6-methylbenzenesulfonamide?
The InChIKey is OXGFRIUKSJCHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO2S/c1-4-2-5(9)3-6(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 2-chloro-4-fluoro-6-methylbenzenesulfonamide?
2-chloro-4-fluoro-6-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 2-chloro-4-fluoro-6-methylbenzenesulfonamide is sourced from PubChem (CID 119007559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).