1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride

C12H14ClNO4S — CID 168711571

IUPAC1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1ccc(CN2CC(S(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C12H14ClNO4S/c1-18-10-4-2-9(3-5-10)7-14-8-11(6-12(14)15)19(13,16)17/h2-5,11H,6-8H2,1H3
InChIKeyGRGUCRJTWSUIAY-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.36
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride

1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711571) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711571
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1ccc(CN2CC(S(=O)(=O)Cl)CC2=O)cc1
InChIInChI=1S/C12H14ClNO4S/c1-18-10-4-2-9(3-5-10)7-14-8-11(6-12(14)15)19(13,16)17/h2-5,11H,6-8H2,1H3
InChIKeyGRGUCRJTWSUIAY-UHFFFAOYSA-N
XLogP1.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550
5-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidine-3-sulfonyl chloride
CID 168712180
5-oxo-1-(quinolin-7-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712210
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700
1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711540
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
(3S)-N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95619377
1-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711841
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711571) is 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride is COc1ccc(CN2CC(S(=O)(=O)Cl)CC2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is GRGUCRJTWSUIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-18-10-4-2-9(3-5-10)7-14-8-11(6-12(14)15)19(13,16)17/h2-5,11H,6-8H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 303.77 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).