2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

C20H24ClN3O4S — CID 126962128

IUPAC2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24ClN3O4S/c1-14(22-18-12-15(21)8-9-19(18)25)20(26)23-16-6-5-7-17(13-16)29(27,28)24-10-3-2-4-11-24/h5-9,12-14,22,25H,2-4,10-11H2,1H3,(H,23,26)
InChIKeyICHYIXFCONXUHW-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.66
Rot. Bonds6

About 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 126962128) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID126962128
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24ClN3O4S/c1-14(22-18-12-15(21)8-9-19(18)25)20(26)23-16-6-5-7-17(13-16)29(27,28)24-10-3-2-4-11-24/h5-9,12-14,22,25H,2-4,10-11H2,1H3,(H,23,26)
InChIKeyICHYIXFCONXUHW-UHFFFAOYSA-N
XLogP3.66
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide (CID 126962128) is 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide is CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is ICHYIXFCONXUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-14(22-18-12-15(21)8-9-19(18)25)20(26)23-16-6-5-7-17(13-16)29(27,28)24-10-3-2-4-11-24/h5-9,12-14,22,25H,2-4,10-11H2,1H3,(H,23,26).
What are the key properties of 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 437.95 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyanilino)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 126962128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).