N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide

C17H19FN2O4S — CID 55795889

IUPACN-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C17H19FN2O4S/c1-24-14-7-8-15(16(18)11-14)17(21)19-9-10-25(22,23)20-12-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21)
InChIKeyQOJMYMPFIKXESL-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.68
Rot. Bonds8

About N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide

N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide (PubChem CID 55795889) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
PubChem CID55795889
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C17H19FN2O4S/c1-24-14-7-8-15(16(18)11-14)17(21)19-9-10-25(22,23)20-12-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21)
InChIKeyQOJMYMPFIKXESL-UHFFFAOYSA-N
XLogP1.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
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2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
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N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
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N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602
N-[2-(ethylsulfamoyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 56785842
1-[2-(benzylsulfamoyl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111182165
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
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CID 110408872

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide (CID 55795889) is N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCCS(=O)(=O)NCc2ccccc2)c(F)c1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is QOJMYMPFIKXESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-24-14-7-8-15(16(18)11-14)17(21)19-9-10-25(22,23)20-12-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide?
N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 366.41 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 55795889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).