2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide

C11H15Cl2NO3S — CID 802891

IUPAC2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-4-14(5-2)18(15,16)11-7-8(12)10(17-3)6-9(11)13/h6-7H,4-5H2,1-3H3
InChIKeyHLYQVNXVOCRKTJ-UHFFFAOYSA-N
MW312.22 g/mol
LogP3.03
Rot. Bonds5

About 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide

2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide (PubChem CID 802891) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide
PubChem CID802891
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-4-14(5-2)18(15,16)11-7-8(12)10(17-3)6-9(11)13/h6-7H,4-5H2,1-3H3
InChIKeyHLYQVNXVOCRKTJ-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide (CID 802891) is 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide?
The InChIKey is HLYQVNXVOCRKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-4-14(5-2)18(15,16)11-7-8(12)10(17-3)6-9(11)13/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide?
2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide has a molecular weight of 312.22 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N,N-diethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 802891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).