2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide

C21H16Cl3FN2O4S — CID 22275637

IUPAC2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1O)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl3FN2O4S/c1-12(21(29)26-18-10-14(23)5-9-20(18)28)27(19-11-15(24)4-8-17(19)25)32(30,31)16-6-2-13(22)3-7-16/h2-12,28H,1H3,(H,26,29)
InChIKeyMQURQXWLNSQUQS-UHFFFAOYSA-N
MW517.79 g/mol
LogP5.71
Rot. Bonds6

About 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide

2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide (PubChem CID 22275637) has the molecular formula C21H16Cl3FN2O4S and a molecular weight of 517.79 g/mol. Its IUPAC name is 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide
PubChem CID22275637
Molecular FormulaC21H16Cl3FN2O4S
Molecular Weight517.79 g/mol
Exact Mass515.99
IUPAC Name2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1O)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H16Cl3FN2O4S/c1-12(21(29)26-18-10-14(23)5-9-20(18)28)27(19-11-15(24)4-8-17(19)25)32(30,31)16-6-2-13(22)3-7-16/h2-12,28H,1H3,(H,26,29)
InChIKeyMQURQXWLNSQUQS-UHFFFAOYSA-N
XLogP5.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.79
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The IUPAC name of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide (CID 22275637) is 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The canonical SMILES for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide is CC(C(=O)Nc1cc(Cl)ccc1O)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide?
The InChIKey is MQURQXWLNSQUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3FN2O4S/c1-12(21(29)26-18-10-14(23)5-9-20(18)28)27(19-11-15(24)4-8-17(19)25)32(30,31)16-6-2-13(22)3-7-16/h2-12,28H,1H3,(H,26,29).
What are the key properties of 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide?
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide has a molecular weight of 517.79 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(5-chloro-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 22275637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).