1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C11H11Cl2NO3S — CID 168711676

IUPAC1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1cc(Cl)ccc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H11Cl2NO3S/c1-7-4-8(12)2-3-10(7)14-6-9(5-11(14)15)18(13,16)17/h2-4,9H,5-6H2,1H3
InChIKeyAQRYMPBGEXSYSH-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.32
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711676) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711676
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC Name1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCc1cc(Cl)ccc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H11Cl2NO3S/c1-7-4-8(12)2-3-10(7)14-6-9(5-11(14)15)18(13,16)17/h2-4,9H,5-6H2,1H3
InChIKeyAQRYMPBGEXSYSH-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-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(2-methyl-5-propan-2-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711106
1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711652
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673300
1-(4-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712530
1-(6-bromo-2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712539
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717608
methyl 5-chloro-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)benzoate
CID 168713921
1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711460

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711676) is 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is Cc1cc(Cl)ccc1N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is AQRYMPBGEXSYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c1-7-4-8(12)2-3-10(7)14-6-9(5-11(14)15)18(13,16)17/h2-4,9H,5-6H2,1H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(4-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-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).