3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide

C12H8ClF2NO3S — CID 63268736

IUPAC3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C12H8ClF2NO3S/c13-9-6-8(20(16,17)18)2-4-11(9)19-12-5-7(14)1-3-10(12)15/h1-6H,(H2,16,17,18)
InChIKeyZSJFIDUCAMMPOQ-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.06
Rot. Bonds3

About 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide

3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide (PubChem CID 63268736) has the molecular formula C12H8ClF2NO3S and a molecular weight of 319.72 g/mol. Its IUPAC name is 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
PubChem CID63268736
Molecular FormulaC12H8ClF2NO3S
Molecular Weight319.72 g/mol
Exact Mass318.99
IUPAC Name3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C12H8ClF2NO3S/c13-9-6-8(20(16,17)18)2-4-11(9)19-12-5-7(14)1-3-10(12)15/h1-6H,(H2,16,17,18)
InChIKeyZSJFIDUCAMMPOQ-UHFFFAOYSA-N
XLogP3.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2,5-difluorophenoxy)aniline
CID 63268649
3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
CID 61374264
3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
CID 61375597
2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline
CID 69225847
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
3-chloro-4-(2,5-dimethylphenoxy)benzenesulfonamide
CID 61373514
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
2-(2,4-dichlorophenoxy)benzenesulfonamide
CID 2805105
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide
CID 107659863
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
CID 61374077
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide (CID 63268736) is 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide?
The InChIKey is ZSJFIDUCAMMPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO3S/c13-9-6-8(20(16,17)18)2-4-11(9)19-12-5-7(14)1-3-10(12)15/h1-6H,(H2,16,17,18).
What are the key properties of 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide?
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide has a molecular weight of 319.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide is sourced from PubChem (CID 63268736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).