2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C13H16Cl2N2O3S — CID 1082969

IUPAC2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O3S/c1-16(9-13(18)17-6-2-3-7-17)21(19,20)12-8-10(14)4-5-11(12)15/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyBGVOBICUIYMGPD-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.24
Rot. Bonds4

About 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 1082969) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID1082969
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O3S/c1-16(9-13(18)17-6-2-3-7-17)21(19,20)12-8-10(14)4-5-11(12)15/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyBGVOBICUIYMGPD-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 1082969) is 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CN(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is BGVOBICUIYMGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-16(9-13(18)17-6-2-3-7-17)21(19,20)12-8-10(14)4-5-11(12)15/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 351.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1082969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).