1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide

C13H16Cl2N2O3S — CID 2975479

IUPAC1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3S/c1-2-16-13(18)12-4-3-7-17(12)21(19,20)9-5-6-10(14)11(15)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,16,18)
InChIKeyVOIMQXPGQGCBAZ-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.28
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide

1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide (PubChem CID 2975479) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide
PubChem CID2975479
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3S/c1-2-16-13(18)12-4-3-7-17(12)21(19,20)9-5-6-10(14)11(15)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,16,18)
InChIKeyVOIMQXPGQGCBAZ-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide (CID 2975479) is 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is VOIMQXPGQGCBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-2-16-13(18)12-4-3-7-17(12)21(19,20)9-5-6-10(14)11(15)8-9/h5-6,8,12H,2-4,7H2,1H3,(H,16,18).
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide?
1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 351.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2975479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).