2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol

C15H13Cl2NO3S — CID 3867945

IUPAC2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCCc2ccccc21
InChIInChI=1S/C15H13Cl2NO3S/c16-11-8-12(17)15(19)14(9-11)22(20,21)18-7-3-5-10-4-1-2-6-13(10)18/h1-2,4,6,8-9,19H,3,5,7H2
InChIKeyBLKKRKXZQZKANI-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.84
Rot. Bonds2

About 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol

2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol (PubChem CID 3867945) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol
PubChem CID3867945
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCCc2ccccc21
InChIInChI=1S/C15H13Cl2NO3S/c16-11-8-12(17)15(19)14(9-11)22(20,21)18-7-3-5-10-4-1-2-6-13(10)18/h1-2,4,6,8-9,19H,3,5,7H2
InChIKeyBLKKRKXZQZKANI-UHFFFAOYSA-N
XLogP3.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol?
The IUPAC name of 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol (CID 3867945) is 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol is O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCCc2ccccc21.
What is the InChIKey of 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol?
The InChIKey is BLKKRKXZQZKANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c16-11-8-12(17)15(19)14(9-11)22(20,21)18-7-3-5-10-4-1-2-6-13(10)18/h1-2,4,6,8-9,19H,3,5,7H2.
What are the key properties of 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol?
2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol has a molecular weight of 358.25 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol is sourced from PubChem (CID 3867945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).