2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide

C13H11Cl3N2O2S — CID 164621640

IUPAC2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1ccncc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-2-18(12-5-6-17-8-11(12)16)21(19,20)13-7-9(14)3-4-10(13)15/h3-8H,2H2,1H3
InChIKeySHTHDUGOYMWYGF-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.26
Rot. Bonds4

About 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide

2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide (PubChem CID 164621640) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide
PubChem CID164621640
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide
SMILESCCN(c1ccncc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-2-18(12-5-6-17-8-11(12)16)21(19,20)13-7-9(14)3-4-10(13)15/h3-8H,2H2,1H3
InChIKeySHTHDUGOYMWYGF-UHFFFAOYSA-N
XLogP4.26
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.26
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-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide (CID 164621640) is 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide is CCN(c1ccncc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide?
The InChIKey is SHTHDUGOYMWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-2-18(12-5-6-17-8-11(12)16)21(19,20)13-7-9(14)3-4-10(13)15/h3-8H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide?
2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide has a molecular weight of 365.67 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chloro-4-pyridinyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 164621640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).