2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride

C12H14ClNO3S — CID 16642641

IUPAC2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
SMILESCc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C12H14ClNO3S/c1-8-6-10(14-5-3-4-11(14)15)7-9(2)12(8)18(13,16)17/h6-7H,3-5H2,1-2H3
InChIKeyRUYVVXLCPOVPHH-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.36
Rot. Bonds2

About 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride

2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride (PubChem CID 16642641) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
PubChem CID16642641
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
SMILESCc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C12H14ClNO3S/c1-8-6-10(14-5-3-4-11(14)15)7-9(2)12(8)18(13,16)17/h6-7H,3-5H2,1-2H3
InChIKeyRUYVVXLCPOVPHH-UHFFFAOYSA-N
XLogP2.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
naphthalen-2-yl 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 52769070
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 166608936
1-(3,5-ditert-butyl-4-hydroxyphenyl)pyrrolidin-2-one
CID 6918219
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 167376306
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride?
The IUPAC name of 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride (CID 16642641) is 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride?
The canonical SMILES for 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride is Cc1cc(N2CCCC2=O)cc(C)c1S(=O)(=O)Cl.
What is the InChIKey of 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride?
The InChIKey is RUYVVXLCPOVPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-8-6-10(14-5-3-4-11(14)15)7-9(2)12(8)18(13,16)17/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride?
2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride is sourced from PubChem (CID 16642641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).