N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

C13H18N2O4S — CID 51186069

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C13H18N2O4S/c1-2-13(17)14-11-9-10(5-6-12(11)16)20(18,19)15-7-3-4-8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyDAFUPSJRFOCSBA-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.53
Rot. Bonds4

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 51186069) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID51186069
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C13H18N2O4S/c1-2-13(17)14-11-9-10(5-6-12(11)16)20(18,19)15-7-3-4-8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyDAFUPSJRFOCSBA-UHFFFAOYSA-N
XLogP1.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide
CID 55823578
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 120872676
4-(4-ethylphenyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 29264882
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
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
CID 55370121
3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24540288
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide
CID 43035130
N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
CID 4831895

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 51186069) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is DAFUPSJRFOCSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-13(17)14-11-9-10(5-6-12(11)16)20(18,19)15-7-3-4-8-15/h5-6,9,16H,2-4,7-8H2,1H3,(H,14,17).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 298.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 51186069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).