2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide

C13H11ClFNO3S — CID 62105360

IUPAC2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClFNO3S/c14-10-3-1-9(2-4-10)8-19-12-6-5-11(15)7-13(12)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyWMIUQAXPPUVPLF-UHFFFAOYSA-N
MW315.75 g/mol
LogP2.71
Rot. Bonds4

About 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide

2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide (PubChem CID 62105360) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
PubChem CID62105360
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClFNO3S/c14-10-3-1-9(2-4-10)8-19-12-6-5-11(15)7-13(12)20(16,17)18/h1-7H,8H2,(H2,16,17,18)
InChIKeyWMIUQAXPPUVPLF-UHFFFAOYSA-N
XLogP2.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122521335
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CID 130460741
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CID 145406607
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CID 146171855
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CID 149610843
CID 149610843

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide (CID 62105360) is 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide?
The InChIKey is WMIUQAXPPUVPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c14-10-3-1-9(2-4-10)8-19-12-6-5-11(15)7-13(12)20(16,17)18/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide?
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide has a molecular weight of 315.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 62105360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).