2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide

C18H17F3N2O5S — CID 146559528

IUPAC2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C18H17F3N2O5S/c1-27-17-3-2-11(29(25,26)23-10-4-5-28-9-10)6-12(17)18(24)22-16-8-14(20)13(19)7-15(16)21/h2-3,6-8,10,23H,4-5,9H2,1H3,(H,22,24)
InChIKeyURCYZFJQYFMBFS-UHFFFAOYSA-N
MW430.40 g/mol
LogP2.43
Rot. Bonds6

About 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide

2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide (PubChem CID 146559528) has the molecular formula C18H17F3N2O5S and a molecular weight of 430.40 g/mol. Its IUPAC name is 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
PubChem CID146559528
Molecular FormulaC18H17F3N2O5S
Molecular Weight430.40 g/mol
Exact Mass430.08
IUPAC Name2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C18H17F3N2O5S/c1-27-17-3-2-11(29(25,26)23-10-4-5-28-9-10)6-12(17)18(24)22-16-8-14(20)13(19)7-15(16)21/h2-3,6-8,10,23H,4-5,9H2,1H3,(H,22,24)
InChIKeyURCYZFJQYFMBFS-UHFFFAOYSA-N
XLogP2.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255929
N-(2-fluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256155
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
N-(2,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237316
N-(2-chloro-4,6-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237242
2-methoxy-5-[[(3S)-oxolan-3-yl]methylsulfonyl]-N-(2,4,5-trifluorophenyl)benzamide
CID 161284309
N-(3,5-dichlorophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559583
N-(4-bromophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256157
N-(4-bromophenyl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146559539
N-(5-fluoro-4-methylpyrimidin-2-yl)-2-methoxy-5-(oxolan-3-ylsulfamoyl)benzamide
CID 146237320
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146255998

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide?
The IUPAC name of 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide (CID 146559528) is 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide is COc1ccc(S(=O)(=O)NC2CCOC2)cc1C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide?
The InChIKey is URCYZFJQYFMBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5S/c1-27-17-3-2-11(29(25,26)23-10-4-5-28-9-10)6-12(17)18(24)22-16-8-14(20)13(19)7-15(16)21/h2-3,6-8,10,23H,4-5,9H2,1H3,(H,22,24).
What are the key properties of 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide?
2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide has a molecular weight of 430.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(oxolan-3-ylsulfamoyl)-N-(2,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 146559528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).