2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide

C11H15Cl2NO3S — CID 2966890

IUPAC2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)c(OCC)cc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-3-5-14-18(15,16)11-7-8(12)10(17-4-2)6-9(11)13/h6-7,14H,3-5H2,1-2H3
InChIKeyQAZHEGIJXAHLDT-UHFFFAOYSA-N
MW312.22 g/mol
LogP3.08
Rot. Bonds6

About 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide

2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide (PubChem CID 2966890) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide
PubChem CID2966890
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)c(OCC)cc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-3-5-14-18(15,16)11-7-8(12)10(17-4-2)6-9(11)13/h6-7,14H,3-5H2,1-2H3
InChIKeyQAZHEGIJXAHLDT-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide (CID 2966890) is 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(Cl)c(OCC)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide?
The InChIKey is QAZHEGIJXAHLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-3-5-14-18(15,16)11-7-8(12)10(17-4-2)6-9(11)13/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide?
2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-ethoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 2966890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).