N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide

C12H17FN2O4S — CID 115883708

IUPACN-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide
SMILESCCOC(C)CNC(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H17FN2O4S/c1-3-19-8(2)7-15-12(16)10-5-4-9(6-11(10)13)20(14,17)18/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyQJVNVQXQXQQYFZ-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.63
Rot. Bonds6

About N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide

N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide (PubChem CID 115883708) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide
PubChem CID115883708
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide
SMILESCCOC(C)CNC(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H17FN2O4S/c1-3-19-8(2)7-15-12(16)10-5-4-9(6-11(10)13)20(14,17)18/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyQJVNVQXQXQQYFZ-UHFFFAOYSA-N
XLogP0.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
CID 72930267
N-(2-ethoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 113304594
2,4-dichloro-N-(2-ethoxypropyl)-5-sulfamoylbenzamide
CID 115665377
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
2-fluoro-N-[(1-methylcyclopropyl)methyl]-4-sulfamoylbenzamide
CID 113346358
3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
CID 70968674
2-fluoro-N-pent-1-yn-3-yl-4-sulfamoylbenzamide
CID 103579485
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845
N-(2-ethoxypropyl)-3-fluoro-2-(methylamino)benzamide
CID 113478177
2-amino-N-(2-ethoxypropyl)-5-hydroxybenzamide
CID 107076037

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide?
The IUPAC name of N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide (CID 115883708) is N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide.
What is the SMILES notation for N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide?
The canonical SMILES for N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide is CCOC(C)CNC(=O)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide?
The InChIKey is QJVNVQXQXQQYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-3-19-8(2)7-15-12(16)10-5-4-9(6-11(10)13)20(14,17)18/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide?
N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide has a molecular weight of 304.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide is sourced from PubChem (CID 115883708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).