1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C13H15Cl2NO4S — CID 168711181

IUPAC1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCCOc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-2-5-20-12-4-3-9(6-11(12)14)16-8-10(7-13(16)17)21(15,18)19/h3-4,6,10H,2,5,7-8H2,1H3
InChIKeyHAWALWMEUXCJIJ-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.80
Rot. Bonds5

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

1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711181) has the molecular formula C13H15Cl2NO4S and a molecular weight of 352.24 g/mol. Its IUPAC name is 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711181
Molecular FormulaC13H15Cl2NO4S
Molecular Weight352.24 g/mol
Exact Mass351.01
IUPAC Name1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCCOc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1Cl
InChIInChI=1S/C13H15Cl2NO4S/c1-2-5-20-12-4-3-9(6-11(12)14)16-8-10(7-13(16)17)21(15,18)19/h3-4,6,10H,2,5,7-8H2,1H3
InChIKeyHAWALWMEUXCJIJ-UHFFFAOYSA-N
XLogP2.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-sulfonyl chloride
CID 168711179
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711460
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
5-oxo-1-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-sulfonyl chloride
CID 168712750
1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711758
1-[3-[(dimethylamino)methyl]phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711318
1-[4-(diethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711191
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711992
1-(2-chloro-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712451
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711181) is 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is CCCOc1ccc(N2CC(S(=O)(=O)Cl)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is HAWALWMEUXCJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4S/c1-2-5-20-12-4-3-9(6-11(12)14)16-8-10(7-13(16)17)21(15,18)19/h3-4,6,10H,2,5,7-8H2,1H3.
What are the key properties of 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 352.24 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).