1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

C13H18N2O4S — CID 2947888

IUPAC1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O4S/c1-14-13(16)12-4-3-9-15(12)20(17,18)11-7-5-10(19-2)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyLYYCIMCPGGEDHK-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.59
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 2947888) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
PubChem CID2947888
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H18N2O4S/c1-14-13(16)12-4-3-9-15(12)20(17,18)11-7-5-10(19-2)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyLYYCIMCPGGEDHK-UHFFFAOYSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide (CID 2947888) is 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LYYCIMCPGGEDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-14-13(16)12-4-3-9-15(12)20(17,18)11-7-5-10(19-2)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2947888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).