2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

C19H22ClN3O5S — CID 126962123

IUPAC2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22ClN3O5S/c1-13(21-17-11-14(20)5-6-18(17)24)19(25)22-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-13,21,24H,7-10H2,1H3,(H,22,25)
InChIKeyBVQMYYOWBKUYQW-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.51
Rot. Bonds6

About 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 126962123) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID126962123
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Name2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22ClN3O5S/c1-13(21-17-11-14(20)5-6-18(17)24)19(25)22-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-13,21,24H,7-10H2,1H3,(H,22,25)
InChIKeyBVQMYYOWBKUYQW-UHFFFAOYSA-N
XLogP2.51
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (CID 126962123) is 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is CC(Nc1cc(Cl)ccc1O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is BVQMYYOWBKUYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-13(21-17-11-14(20)5-6-18(17)24)19(25)22-15-3-2-4-16(12-15)29(26,27)23-7-9-28-10-8-23/h2-6,11-13,21,24H,7-10H2,1H3,(H,22,25).
What are the key properties of 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 439.92 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 126962123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).