3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide

C13H16Cl2N2O3S — CID 65386602

IUPAC3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-2-5-17(9-3-4-9)13(18)8-6-10(14)12(15)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20)
InChIKeyVAUFHRFJALDWJP-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.66
Rot. Bonds5

About 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide

3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide (PubChem CID 65386602) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
PubChem CID65386602
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-2-5-17(9-3-4-9)13(18)8-6-10(14)12(15)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20)
InChIKeyVAUFHRFJALDWJP-UHFFFAOYSA-N
XLogP2.66
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 81479678
N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65386408
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
5-chloro-N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243745
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81063673
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide (CID 65386602) is 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide is CCCN(C(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide?
The InChIKey is VAUFHRFJALDWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-2-5-17(9-3-4-9)13(18)8-6-10(14)12(15)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3,(H2,16,19,20).
What are the key properties of 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide?
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide has a molecular weight of 351.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65386602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).