4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C12H16N2O4S — CID 617554

IUPAC4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC(O)CC2C(N)=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-8-2-4-10(5-3-8)19(17,18)14-7-9(15)6-11(14)12(13)16/h2-5,9,11,15H,6-7H2,1H3,(H2,13,16)
InChIKeyDLTGOWZIMMJUQO-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.40
Rot. Bonds3

About 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 617554) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID617554
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC(O)CC2C(N)=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-8-2-4-10(5-3-8)19(17,18)14-7-9(15)6-11(14)12(13)16/h2-5,9,11,15H,6-7H2,1H3,(H2,13,16)
InChIKeyDLTGOWZIMMJUQO-UHFFFAOYSA-N
XLogP-0.40
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 617554) is 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CC(O)CC2C(N)=O)cc1.
What is the InChIKey of 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is DLTGOWZIMMJUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-2-4-10(5-3-8)19(17,18)14-7-9(15)6-11(14)12(13)16/h2-5,9,11,15H,6-7H2,1H3,(H2,13,16).
What are the key properties of 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 617554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).