4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide

C13H16BrClN2O3S — CID 81290681

IUPAC4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C13H16BrClN2O3S/c1-2-5-17(9-3-4-9)13(18)8-6-10(15)12(14)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20)
InChIKeyYZZFWZCXHULLTA-UHFFFAOYSA-N
MW395.71 g/mol
LogP2.76
Rot. Bonds5

About 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide

4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide (PubChem CID 81290681) has the molecular formula C13H16BrClN2O3S and a molecular weight of 395.71 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
PubChem CID81290681
Molecular FormulaC13H16BrClN2O3S
Molecular Weight395.71 g/mol
Exact Mass393.98
IUPAC Name4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C13H16BrClN2O3S/c1-2-5-17(9-3-4-9)13(18)8-6-10(15)12(14)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20)
InChIKeyYZZFWZCXHULLTA-UHFFFAOYSA-N
XLogP2.76
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 81479678
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579
N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65386408
4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
CID 81291381
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
propyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81295205
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
butyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81295306
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
5-chloro-N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243745

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide (CID 81290681) is 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide is CCCN(C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide?
The InChIKey is YZZFWZCXHULLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O3S/c1-2-5-17(9-3-4-9)13(18)8-6-10(15)12(14)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20).
What are the key properties of 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide?
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide has a molecular weight of 395.71 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81290681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).