N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide

C17H19FN2O4S — CID 74246247

IUPACN-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
SMILESCCOc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C17H19FN2O4S/c1-2-24-16-6-4-3-5-12(16)9-10-20-17(21)14-11-13(25(19,22)23)7-8-15(14)18/h3-8,11H,2,9-10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyPQRDIXHXSHFMDT-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.84
Rot. Bonds7

About N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide

N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide (PubChem CID 74246247) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
PubChem CID74246247
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
SMILESCCOc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C17H19FN2O4S/c1-2-24-16-6-4-3-5-12(16)9-10-20-17(21)14-11-13(25(19,22)23)7-8-15(14)18/h3-8,11H,2,9-10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyPQRDIXHXSHFMDT-UHFFFAOYSA-N
XLogP1.84
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide
CID 110315444
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 120630743
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
2-ethoxy-N-(2-ethoxyethyl)-5-sulfamoylbenzamide
CID 65388369
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 46625044
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 23823481
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide (CID 74246247) is N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide is CCOc1ccccc1CCNC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is PQRDIXHXSHFMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-2-24-16-6-4-3-5-12(16)9-10-20-17(21)14-11-13(25(19,22)23)7-8-15(14)18/h3-8,11H,2,9-10H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide?
N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 366.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 74246247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).