2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide

C12H16Cl2N2O3S — CID 65387936

IUPAC2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(CC)C(=O)c1c(Cl)ccc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-3-7-16(4-2)12(17)10-8(13)5-6-9(11(10)14)20(15,18)19/h5-6H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeyRNFRHJCIHUDPSQ-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.51
Rot. Bonds5

About 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide

2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide (PubChem CID 65387936) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide
PubChem CID65387936
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(CC)C(=O)c1c(Cl)ccc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-3-7-16(4-2)12(17)10-8(13)5-6-9(11(10)14)20(15,18)19/h5-6H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeyRNFRHJCIHUDPSQ-UHFFFAOYSA-N
XLogP2.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide?
The IUPAC name of 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide (CID 65387936) is 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide.
What is the SMILES notation for 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide?
The canonical SMILES for 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide is CCCN(CC)C(=O)c1c(Cl)ccc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide?
The InChIKey is RNFRHJCIHUDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-3-7-16(4-2)12(17)10-8(13)5-6-9(11(10)14)20(15,18)19/h5-6H,3-4,7H2,1-2H3,(H2,15,18,19).
What are the key properties of 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide?
2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide has a molecular weight of 339.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-ethyl-N-propyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65387936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).