2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C12H16N2O3S — CID 3119448

IUPAC2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1N1CCCC1=O
InChIInChI=1S/C12H16N2O3S/c1-8-5-6-10(18(13,16)17)9(2)12(8)14-7-3-4-11(14)15/h5-6H,3-4,7H2,1-2H3,(H2,13,16,17)
InChIKeyTYTDNYBFSYXZHA-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.08
Rot. Bonds2

About 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 3119448) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID3119448
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1N1CCCC1=O
InChIInChI=1S/C12H16N2O3S/c1-8-5-6-10(18(13,16)17)9(2)12(8)14-7-3-4-11(14)15/h5-6H,3-4,7H2,1-2H3,(H2,13,16,17)
InChIKeyTYTDNYBFSYXZHA-UHFFFAOYSA-N
XLogP1.08
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 3119448) is 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(C)c1N1CCCC1=O.
What is the InChIKey of 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is TYTDNYBFSYXZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-5-6-10(18(13,16)17)9(2)12(8)14-7-3-4-11(14)15/h5-6H,3-4,7H2,1-2H3,(H2,13,16,17).
What are the key properties of 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 3119448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).