3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C19H23N3O7S2 — CID 27162235

IUPAC3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C19H23N3O7S2/c23-18-7-6-16(31(27,28)22-10-12-29-13-11-22)14-17(18)21-19(24)8-9-20-30(25,26)15-4-2-1-3-5-15/h1-7,14,20,23H,8-13H2,(H,21,24)
InChIKeyVXLBVFNKCNHMAJ-UHFFFAOYSA-N
MW469.54 g/mol
LogP0.72
Rot. Bonds8

About 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide

3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 27162235) has the molecular formula C19H23N3O7S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID27162235
Molecular FormulaC19H23N3O7S2
Molecular Weight469.54 g/mol
Exact Mass469.10
IUPAC Name3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C19H23N3O7S2/c23-18-7-6-16(31(27,28)22-10-12-29-13-11-22)14-17(18)21-19(24)8-9-20-30(25,26)15-4-2-1-3-5-15/h1-7,14,20,23H,8-13H2,(H,21,24)
InChIKeyVXLBVFNKCNHMAJ-UHFFFAOYSA-N
XLogP0.72
TPSA142.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-(4-phenylphenyl)acetamide
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N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
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N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
1-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)urea
CID 108888055
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55464644
N-[3-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55649543
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 27162235) is 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCNS(=O)(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O.
What is the InChIKey of 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is VXLBVFNKCNHMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S2/c23-18-7-6-16(31(27,28)22-10-12-29-13-11-22)14-17(18)21-19(24)8-9-20-30(25,26)15-4-2-1-3-5-15/h1-7,14,20,23H,8-13H2,(H,21,24).
What are the key properties of 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 469.54 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 27162235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).