4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide

C13H17BrN2O3S — CID 103713871

IUPAC4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
SMILESCCCC1CC1NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H17BrN2O3S/c1-2-3-8-6-11(8)16-13(17)9-4-5-10(14)12(7-9)20(15,18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyUWNPJJGQGOOBPK-UHFFFAOYSA-N
MW361.26 g/mol
LogP2.01
Rot. Bonds5

About 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide

4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide (PubChem CID 103713871) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
PubChem CID103713871
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide
SMILESCCCC1CC1NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H17BrN2O3S/c1-2-3-8-6-11(8)16-13(17)9-4-5-10(14)12(7-9)20(15,18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyUWNPJJGQGOOBPK-UHFFFAOYSA-N
XLogP2.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713550
2-methyl-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 113246084
3-iodo-N-(2-propylcyclopropyl)benzamide
CID 103713511
2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 103713869
2,6-dichloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713551
4-bromo-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 61244884
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
2-amino-6-chloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 113246075
3-amino-5-iodo-N-(2-propylcyclopropyl)benzamide
CID 112750965
propyl 4-bromo-3-sulfamoylbenzoate
CID 60768976
2-hydroxy-5-methyl-N-(2-propylcyclopropyl)benzamide
CID 113246155

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide (CID 103713871) is 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide is CCCC1CC1NC(=O)c1ccc(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide?
The InChIKey is UWNPJJGQGOOBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-2-3-8-6-11(8)16-13(17)9-4-5-10(14)12(7-9)20(15,18)19/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide?
4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide has a molecular weight of 361.26 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-propylcyclopropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 103713871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).