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

C13H17FN2O3S — CID 103713869

IUPAC2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
SMILESCCCC1CC1NC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H17FN2O3S/c1-2-3-8-6-12(8)16-13(17)10-7-9(20(15,18)19)4-5-11(10)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyIUCUWEIRYDAGGQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.39
Rot. Bonds5

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

2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide (PubChem CID 103713869) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
PubChem CID103713869
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
SMILESCCCC1CC1NC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C13H17FN2O3S/c1-2-3-8-6-12(8)16-13(17)10-7-9(20(15,18)19)4-5-11(10)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyIUCUWEIRYDAGGQ-UHFFFAOYSA-N
XLogP1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 113246084
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
2-fluoro-4-methoxy-N-(2-propylcyclopropyl)benzamide
CID 103713574
4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
CID 103713871
2-hydroxy-5-methyl-N-(2-propylcyclopropyl)benzamide
CID 113246155
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide
CID 103713598
3-hydroxy-2-methyl-N-(2-propylcyclopropyl)benzamide
CID 103873583
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
propyl 2-fluoro-5-sulfamoylbenzoate
CID 35544265
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide (CID 103713869) is 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide is CCCC1CC1NC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide?
The InChIKey is IUCUWEIRYDAGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-2-3-8-6-12(8)16-13(17)10-7-9(20(15,18)19)4-5-11(10)14/h4-5,7-8,12H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide?
2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide has a molecular weight of 300.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 103713869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).