1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide

C15H21ClN2O3S — CID 75389887

IUPAC1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C(=O)C(C)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-11(8-12-4-3-5-13(16)9-12)15(19)18-7-6-14(10-18)22(20,21)17-2/h3-5,9,11,14,17H,6-8,10H2,1-2H3
InChIKeyCFJQVNLSLKJDOD-UHFFFAOYSA-N
MW344.86 g/mol
LogP1.67
Rot. Bonds5

About 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide

1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 75389887) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID75389887
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(C(=O)C(C)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-11(8-12-4-3-5-13(16)9-12)15(19)18-7-6-14(10-18)22(20,21)17-2/h3-5,9,11,14,17H,6-8,10H2,1-2H3
InChIKeyCFJQVNLSLKJDOD-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide (CID 75389887) is 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(C(=O)C(C)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is CFJQVNLSLKJDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(8-12-4-3-5-13(16)9-12)15(19)18-7-6-14(10-18)22(20,21)17-2/h3-5,9,11,14,17H,6-8,10H2,1-2H3.
What are the key properties of 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide?
1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 344.86 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-2-methylpropanoyl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 75389887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).