N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C18H20N2O4S — CID 2947616

IUPACN-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-10-16(11-5-13)25(23,24)20-12-2-3-17(20)18(22)19-14-6-8-15(21)9-7-14/h4-11,17,21H,2-3,12H2,1H3,(H,19,22)
InChIKeyWNNQYTSPYIJPQA-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.49
Rot. Bonds4

About N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2947616) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2947616
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-10-16(11-5-13)25(23,24)20-12-2-3-17(20)18(22)19-14-6-8-15(21)9-7-14/h4-11,17,21H,2-3,12H2,1H3,(H,19,22)
InChIKeyWNNQYTSPYIJPQA-UHFFFAOYSA-N
XLogP2.49
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 2947616) is N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WNNQYTSPYIJPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-4-10-16(11-5-13)25(23,24)20-12-2-3-17(20)18(22)19-14-6-8-15(21)9-7-14/h4-11,17,21H,2-3,12H2,1H3,(H,19,22).
What are the key properties of N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2947616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).