2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide

C13H19FN2O4S — CID 72930267

IUPAC2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
SMILESCCCOC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O4S/c1-3-6-20-9(2)8-16-13(17)11-7-10(21(15,18)19)4-5-12(11)14/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyMXGWVUNQMOWVIC-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.02
Rot. Bonds7

About 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide

2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide (PubChem CID 72930267) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
PubChem CID72930267
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
SMILESCCCOC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O4S/c1-3-6-20-9(2)8-16-13(17)11-7-10(21(15,18)19)4-5-12(11)14/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyMXGWVUNQMOWVIC-UHFFFAOYSA-N
XLogP1.02
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661
N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide
CID 115883708
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
propyl 2-fluoro-5-sulfamoylbenzoate
CID 35544265
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
2-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 62692492
2-methoxy-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388845

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide (CID 72930267) is 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide is CCCOC(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide?
The InChIKey is MXGWVUNQMOWVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-3-6-20-9(2)8-16-13(17)11-7-10(21(15,18)19)4-5-12(11)14/h4-5,7,9H,3,6,8H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide?
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide has a molecular weight of 318.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 72930267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).