2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide

C13H7Cl3FNO3S — CID 11176518

IUPAC2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3FNO3S/c14-7-1-3-9(10(15)5-7)13(19)18-22(20,21)8-2-4-12(17)11(16)6-8/h1-6H,(H,18,19)
InChIKeyDGHDMQLWTPPVOS-UHFFFAOYSA-N
MW382.63 g/mol
LogP3.90
Rot. Bonds3

About 2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide

2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide (PubChem CID 11176518) has the molecular formula C13H7Cl3FNO3S and a molecular weight of 382.63 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide
PubChem CID11176518
Molecular FormulaC13H7Cl3FNO3S
Molecular Weight382.63 g/mol
Exact Mass380.92
IUPAC Name2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3FNO3S/c14-7-1-3-9(10(15)5-7)13(19)18-22(20,21)8-2-4-12(17)11(16)6-8/h1-6H,(H,18,19)
InChIKeyDGHDMQLWTPPVOS-UHFFFAOYSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 53.90
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-(3-chloro-4-fluorophenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide (CID 11176518) is 2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide?
The InChIKey is DGHDMQLWTPPVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO3S/c14-7-1-3-9(10(15)5-7)13(19)18-22(20,21)8-2-4-12(17)11(16)6-8/h1-6H,(H,18,19).
What are the key properties of 2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide?
2,4-dichloro-N-(3-chloro-4-fluorophenyl)sulfonylbenzamide has a molecular weight of 382.63 g/mol, XLogP of 3.90, 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-(3-chloro-4-fluorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11176518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).