2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide

C13H8Cl2FNO3S — CID 11473497

IUPAC2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FNO3S/c14-8-1-6-11(12(15)7-8)13(18)17-21(19,20)10-4-2-9(16)3-5-10/h1-7H,(H,17,18)
InChIKeyAIKSEDMIHLRPPQ-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.25
Rot. Bonds3

About 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide

2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide (PubChem CID 11473497) has the molecular formula C13H8Cl2FNO3S and a molecular weight of 348.18 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide
PubChem CID11473497
Molecular FormulaC13H8Cl2FNO3S
Molecular Weight348.18 g/mol
Exact Mass346.96
IUPAC Name2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FNO3S/c14-8-1-6-11(12(15)7-8)13(18)17-21(19,20)10-4-2-9(16)3-5-10/h1-7H,(H,17,18)
InChIKeyAIKSEDMIHLRPPQ-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide (CID 11473497) is 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide?
The InChIKey is AIKSEDMIHLRPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO3S/c14-8-1-6-11(12(15)7-8)13(18)17-21(19,20)10-4-2-9(16)3-5-10/h1-7H,(H,17,18).
What are the key properties of 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide?
2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide has a molecular weight of 348.18 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11473497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).