2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide

C13H10Cl2FNO2S — CID 4858598

IUPAC2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2FNO2S/c14-10-5-6-11(15)13(7-10)20(18,19)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8H2
InChIKeyFXDAUVQATAHMEN-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.61
Rot. Bonds4

About 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide

2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 4858598) has the molecular formula C13H10Cl2FNO2S and a molecular weight of 334.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
PubChem CID4858598
Molecular FormulaC13H10Cl2FNO2S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2FNO2S/c14-10-5-6-11(15)13(7-10)20(18,19)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8H2
InChIKeyFXDAUVQATAHMEN-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide (CID 4858598) is 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccccc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is FXDAUVQATAHMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2S/c14-10-5-6-11(15)13(7-10)20(18,19)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8H2.
What are the key properties of 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 4858598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).