2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide

C20H15ClFNO4S — CID 110161776

IUPAC2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H15ClFNO4S/c21-15-5-3-4-14(12-15)13-27-19-7-2-1-6-18(19)20(24)23-28(25,26)17-10-8-16(22)9-11-17/h1-12H,13H2,(H,23,24)
InChIKeyPDVGVEDFGXPYMX-UHFFFAOYSA-N
MW419.86 g/mol
LogP4.18
Rot. Bonds6

About 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide

2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide (PubChem CID 110161776) has the molecular formula C20H15ClFNO4S and a molecular weight of 419.86 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide
PubChem CID110161776
Molecular FormulaC20H15ClFNO4S
Molecular Weight419.86 g/mol
Exact Mass419.04
IUPAC Name2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H15ClFNO4S/c21-15-5-3-4-14(12-15)13-27-19-7-2-1-6-18(19)20(24)23-28(25,26)17-10-8-16(22)9-11-17/h1-12H,13H2,(H,23,24)
InChIKeyPDVGVEDFGXPYMX-UHFFFAOYSA-N
XLogP4.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methoxy]-N-(4-chlorophenyl)sulfonylbenzamide
CID 110161772
2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077557
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 11978486
2-[(4-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402900
2-[(2-chlorophenyl)methoxy]-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 46463772
3-chloro-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4938260

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide (CID 110161776) is 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide?
The InChIKey is PDVGVEDFGXPYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO4S/c21-15-5-3-4-14(12-15)13-27-19-7-2-1-6-18(19)20(24)23-28(25,26)17-10-8-16(22)9-11-17/h1-12H,13H2,(H,23,24).
What are the key properties of 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide?
2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide has a molecular weight of 419.86 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide is sourced from PubChem (CID 110161776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).