1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide

C13H16BrClN2O3S — CID 60700592

IUPAC1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O3S/c1-16(2)13(18)11-4-3-7-17(11)21(19,20)12-6-5-9(14)8-10(12)15/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyHEUIIMZQWJYGNN-UHFFFAOYSA-N
MW395.71 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide

1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 60700592) has the molecular formula C13H16BrClN2O3S and a molecular weight of 395.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID60700592
Molecular FormulaC13H16BrClN2O3S
Molecular Weight395.71 g/mol
Exact Mass393.98
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O3S/c1-16(2)13(18)11-4-3-7-17(11)21(19,20)12-6-5-9(14)8-10(12)15/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyHEUIIMZQWJYGNN-UHFFFAOYSA-N
XLogP2.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.71
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide (CID 60700592) is 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is HEUIIMZQWJYGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O3S/c1-16(2)13(18)11-4-3-7-17(11)21(19,20)12-6-5-9(14)8-10(12)15/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide?
1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 395.71 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60700592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).