2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide

C14H22Cl2N2O2S — CID 4785357

IUPAC2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-5-18(6-2)8-7-17-21(19,20)14-11(4)12(15)9-10(3)13(14)16/h9,17H,5-8H2,1-4H3
InChIKeyAIAPQEDSSFFOEB-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.23
Rot. Bonds7

About 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide (PubChem CID 4785357) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
PubChem CID4785357
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-5-18(6-2)8-7-17-21(19,20)14-11(4)12(15)9-10(3)13(14)16/h9,17H,5-8H2,1-4H3
InChIKeyAIAPQEDSSFFOEB-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide (CID 4785357) is 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The InChIKey is AIAPQEDSSFFOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S/c1-5-18(6-2)8-7-17-21(19,20)14-11(4)12(15)9-10(3)13(14)16/h9,17H,5-8H2,1-4H3.
What are the key properties of 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide has a molecular weight of 353.32 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(diethylamino)ethyl]-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 4785357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).