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

C12H18Cl2N2O2S — CID 8716801

IUPAC2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)NCCN(C)C)c1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-8-7-10(13)9(2)12(11(8)14)19(17,18)15-5-6-16(3)4/h7,15H,5-6H2,1-4H3
InChIKeyLBHHVWIPNJBBMA-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.45
Rot. Bonds5

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

2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide (PubChem CID 8716801) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
PubChem CID8716801
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)NCCN(C)C)c1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-8-7-10(13)9(2)12(11(8)14)19(17,18)15-5-6-16(3)4/h7,15H,5-6H2,1-4H3
InChIKeyLBHHVWIPNJBBMA-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.45
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-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide (CID 8716801) is 2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)NCCN(C)C)c1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
The InChIKey is LBHHVWIPNJBBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-8-7-10(13)9(2)12(11(8)14)19(17,18)15-5-6-16(3)4/h7,15H,5-6H2,1-4H3.
What are the key properties of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-[2-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 2.45, 5 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-(dimethylamino)ethyl]-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 8716801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).