N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide

C20H14Cl2F2N2O3S — CID 4617955

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H14Cl2F2N2O3S/c21-14-4-1-13(17(22)9-14)11-25-20(27)12-2-5-15(6-3-12)26-30(28,29)16-7-8-18(23)19(24)10-16/h1-10,26H,11H2,(H,25,27)
InChIKeyVYWYGURKQZQMAJ-UHFFFAOYSA-N
MW471.31 g/mol
LogP5.00
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide

N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide (PubChem CID 4617955) has the molecular formula C20H14Cl2F2N2O3S and a molecular weight of 471.31 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
PubChem CID4617955
Molecular FormulaC20H14Cl2F2N2O3S
Molecular Weight471.31 g/mol
Exact Mass470.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H14Cl2F2N2O3S/c21-14-4-1-13(17(22)9-14)11-25-20(27)12-2-5-15(6-3-12)26-30(28,29)16-7-8-18(23)19(24)10-16/h1-10,26H,11H2,(H,25,27)
InChIKeyVYWYGURKQZQMAJ-UHFFFAOYSA-N
XLogP5.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.31
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946421
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545
4-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 27167990
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 27256677
N-[(2,4-dichlorophenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062771
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 46552974
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396412
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide (CID 4617955) is N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide?
The InChIKey is VYWYGURKQZQMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2N2O3S/c21-14-4-1-13(17(22)9-14)11-25-20(27)12-2-5-15(6-3-12)26-30(28,29)16-7-8-18(23)19(24)10-16/h1-10,26H,11H2,(H,25,27).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide?
N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide has a molecular weight of 471.31 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4617955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).