1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C14H17ClN2O4S — CID 168712858

IUPAC1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cccc(N2CCOCC2)c1
InChIInChI=1S/C14H17ClN2O4S/c15-22(19,20)13-9-14(18)17(10-13)12-3-1-2-11(8-12)16-4-6-21-7-5-16/h1-3,8,13H,4-7,9-10H2
InChIKeyIIIMDFNANCSXKM-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.20
Rot. Bonds3

About 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712858) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712858
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1cccc(N2CCOCC2)c1
InChIInChI=1S/C14H17ClN2O4S/c15-22(19,20)13-9-14(18)17(10-13)12-3-1-2-11(8-12)16-4-6-21-7-5-16/h1-3,8,13H,4-7,9-10H2
InChIKeyIIIMDFNANCSXKM-UHFFFAOYSA-N
XLogP1.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
1-(3-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712813
1-[3-[(dimethylamino)methyl]phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711318
1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717645
1-(3-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712434
(5R)-5-(hydroxymethyl)-3-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 69127864
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712479
4-(chloromethyl)-1-(3-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168509498
1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712029
1-(2-chloro-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712451
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712858) is 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1cccc(N2CCOCC2)c1.
What is the InChIKey of 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is IIIMDFNANCSXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c15-22(19,20)13-9-14(18)17(10-13)12-3-1-2-11(8-12)16-4-6-21-7-5-16/h1-3,8,13H,4-7,9-10H2.
What are the key properties of 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 344.82 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).