N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide

C14H20N2O5S2 — CID 3161855

IUPACN-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2=O)c(C)c1N(C)S(C)(=O)=O
InChIInChI=1S/C14H20N2O5S2/c1-10-7-8-12(11(2)14(10)15(3)22(4,18)19)23(20,21)16-9-5-6-13(16)17/h7-8H,5-6,9H2,1-4H3
InChIKeyQKJBBKUZIVIGIT-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.01
Rot. Bonds4

About N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide

N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide (PubChem CID 3161855) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide
PubChem CID3161855
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC NameN-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2=O)c(C)c1N(C)S(C)(=O)=O
InChIInChI=1S/C14H20N2O5S2/c1-10-7-8-12(11(2)14(10)15(3)22(4,18)19)23(20,21)16-9-5-6-13(16)17/h7-8H,5-6,9H2,1-4H3
InChIKeyQKJBBKUZIVIGIT-UHFFFAOYSA-N
XLogP1.01
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide (CID 3161855) is N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide is Cc1ccc(S(=O)(=O)N2CCCC2=O)c(C)c1N(C)S(C)(=O)=O.
What is the InChIKey of N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide?
The InChIKey is QKJBBKUZIVIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-10-7-8-12(11(2)14(10)15(3)22(4,18)19)23(20,21)16-9-5-6-13(16)17/h7-8H,5-6,9H2,1-4H3.
What are the key properties of N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide?
N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide has a molecular weight of 360.46 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-3-(2-oxopyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 3161855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).