2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol

C14H11Cl2NO3S — CID 3667904

IUPAC2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCc2ccccc21
InChIInChI=1S/C14H11Cl2NO3S/c15-10-7-11(16)14(18)13(8-10)21(19,20)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8,18H,5-6H2
InChIKeyUESFPWQHCOTYIP-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.45
Rot. Bonds2

About 2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol

2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol (PubChem CID 3667904) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol.

Molecular Properties

Compound Name2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol
PubChem CID3667904
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCc2ccccc21
InChIInChI=1S/C14H11Cl2NO3S/c15-10-7-11(16)14(18)13(8-10)21(19,20)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8,18H,5-6H2
InChIKeyUESFPWQHCOTYIP-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.45
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-(2,3-dihydroindol-1-ylsulfonyl)phenol?
The IUPAC name of 2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol (CID 3667904) is 2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol.
What is the SMILES notation for 2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol?
The canonical SMILES for 2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol is O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCc2ccccc21.
What is the InChIKey of 2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol?
The InChIKey is UESFPWQHCOTYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c15-10-7-11(16)14(18)13(8-10)21(19,20)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8,18H,5-6H2.
What are the key properties of 2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol?
2,4-dichloro-6-(2,3-dihydroindol-1-ylsulfonyl)phenol has a molecular weight of 344.22 g/mol, XLogP of 3.45, 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-(2,3-dihydroindol-1-ylsulfonyl)phenol is sourced from PubChem (CID 3667904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).