1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C11H11Cl2NO3S — CID 168711657

IUPAC1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1c(Cl)cccc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H11Cl2NO3S/c1-7-9(12)3-2-4-10(7)14-6-8(5-11(14)15)18(13,16)17/h2-4,8H,5-6H2,1H3
InChIKeyJJOLZEQPLHPNOI-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.32
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711657) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711657
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC Name1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1c(Cl)cccc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H11Cl2NO3S/c1-7-9(12)3-2-4-10(7)14-6-8(5-11(14)15)18(13,16)17/h2-4,8H,5-6H2,1H3
InChIKeyJJOLZEQPLHPNOI-UHFFFAOYSA-N
XLogP2.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712717
1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714471
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
1-(3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717604
1-[2-fluoro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712610
1-(1-methylindazol-7-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711997
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701
(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one
CID 51604297
1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711657) is 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is Cc1c(Cl)cccc1N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is JJOLZEQPLHPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c1-7-9(12)3-2-4-10(7)14-6-8(5-11(14)15)18(13,16)17/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 308.19 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).