2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide

C13H16Cl2N2O3S — CID 79037290

IUPAC2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1(C)CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O3S/c1-13(2)3-4-17(7-13)12(18)8-5-11(21(16,19)20)10(15)6-9(8)14/h5-6H,3-4,7H2,1-2H3,(H2,16,19,20)
InChIKeyGJJYAYFTCYGPQO-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.51
Rot. Bonds2

About 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide

2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 79037290) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID79037290
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1(C)CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O3S/c1-13(2)3-4-17(7-13)12(18)8-5-11(21(16,19)20)10(15)6-9(8)14/h5-6H,3-4,7H2,1-2H3,(H2,16,19,20)
InChIKeyGJJYAYFTCYGPQO-UHFFFAOYSA-N
XLogP2.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 79037290) is 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide is CC1(C)CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1.
What is the InChIKey of 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is GJJYAYFTCYGPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-13(2)3-4-17(7-13)12(18)8-5-11(21(16,19)20)10(15)6-9(8)14/h5-6H,3-4,7H2,1-2H3,(H2,16,19,20).
What are the key properties of 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide?
2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 351.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(3,3-dimethylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 79037290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).