2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid

C18H14Cl2N2O5S — CID 87659609

IUPAC2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid
SMILESNC(=O)c1ccc(Cl)cc1Cl.O=S(=O)(O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C11H9NO4S.C7H5Cl2NO/c13-17(14,15)10-6-7-11(12-8-10)16-9-4-2-1-3-5-9;8-4-1-2-5(7(10)11)6(9)3-4/h1-8H,(H,13,14,15);1-3H,(H2,10,11)
InChIKeyKWFFTLLZCIHJEP-UHFFFAOYSA-N
MW441.29 g/mol
LogP4.21
Rot. Bonds4

About 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid

2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid (PubChem CID 87659609) has the molecular formula C18H14Cl2N2O5S and a molecular weight of 441.29 g/mol. Its IUPAC name is 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid.

Molecular Properties

Compound Name2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid
PubChem CID87659609
Molecular FormulaC18H14Cl2N2O5S
Molecular Weight441.29 g/mol
Exact Mass440.00
IUPAC Name2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid
SMILESNC(=O)c1ccc(Cl)cc1Cl.O=S(=O)(O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C11H9NO4S.C7H5Cl2NO/c13-17(14,15)10-6-7-11(12-8-10)16-9-4-2-1-3-5-9;8-4-1-2-5(7(10)11)6(9)3-4/h1-8H,(H,13,14,15);1-3H,(H2,10,11)
InChIKeyKWFFTLLZCIHJEP-UHFFFAOYSA-N
XLogP4.21
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-fluorobenzamide;6-phenoxypyridine-3-sulfonic acid
CID 87659715
4-fluoro-2-(trifluoromethyl)benzamide;6-phenoxypyridine-3-sulfonic acid
CID 87659996
2,4-dichlorobenzamide;6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonic acid
CID 87307663
6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 115928135
6-[2,4-bis(trifluoromethyl)phenyl]pyridine-3-sulfonic acid;2,4-dichlorobenzamide
CID 87212311
2-chloro-4-fluorobenzamide;6-(4-phenylpiperazin-1-yl)pyridine-3-sulfonic acid
CID 87306082
4-chloro-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208536
4-[[5-chloro-1-[(6-phenoxy-3-pyridinyl)sulfonyl]indol-2-yl]methyl]benzoic acid
CID 70662928
2-chloro-4-fluorobenzamide;6-pyrrolidin-1-ylpyridine-3-sulfonic acid
CID 87658965
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[(5-nitro-2-pyridinyl)oxy]benzoic acid;hydride
CID 173235220
sodium (2-bromo-4-methylbenzoyl)-[(6-phenoxy-3-pyridinyl)sulfonyl]azanide
CID 25002003
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenoxypyridine-3-sulfonamide
CID 67969992

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid?
The IUPAC name of 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid (CID 87659609) is 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid.
What is the SMILES notation for 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid?
The canonical SMILES for 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid is NC(=O)c1ccc(Cl)cc1Cl.O=S(=O)(O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid?
The InChIKey is KWFFTLLZCIHJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S.C7H5Cl2NO/c13-17(14,15)10-6-7-11(12-8-10)16-9-4-2-1-3-5-9;8-4-1-2-5(7(10)11)6(9)3-4/h1-8H,(H,13,14,15);1-3H,(H2,10,11).
What are the key properties of 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid?
2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid has a molecular weight of 441.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid is sourced from PubChem (CID 87659609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).