[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride

C16H15ClN2O4S — CID 168674461

IUPAC[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C16H15ClN2O4S/c17-24(21,22)11-12-8-16(20)19(10-12)13-4-3-5-14(9-13)23-15-6-1-2-7-18-15/h1-7,9,12H,8,10-11H2
InChIKeyNSSSXHILQKMEML-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.80
Rot. Bonds5

About [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168674461) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168674461
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C16H15ClN2O4S/c17-24(21,22)11-12-8-16(20)19(10-12)13-4-3-5-14(9-13)23-15-6-1-2-7-18-15/h1-7,9,12H,8,10-11H2
InChIKeyNSSSXHILQKMEML-UHFFFAOYSA-N
XLogP2.80
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl 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

[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168683185
[1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672720
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
[1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673577
[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674483
[5-oxo-1-(3-phenylmethoxyphenyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677695
[1-[4-(4-methylphenoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673318
[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674271
[1-(4-chloro-3-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674043
[1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673095
[5-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677693
[1-(3-iodo-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673111

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride (CID 168674461) is [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1cccc(Oc2ccccn2)c1.
What is the InChIKey of [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is NSSSXHILQKMEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c17-24(21,22)11-12-8-16(20)19(10-12)13-4-3-5-14(9-13)23-15-6-1-2-7-18-15/h1-7,9,12H,8,10-11H2.
What are the key properties of [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 366.83 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168674461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).