[5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride

C18H18ClNO4S — CID 168673791

IUPAC[5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H18ClNO4S/c19-25(22,23)13-14-10-18(21)20(11-14)12-15-6-4-5-9-17(15)24-16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKeyXJGWAQDDORESDN-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.40
Rot. Bonds6

About [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673791) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673791
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name[5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H18ClNO4S/c19-25(22,23)13-14-10-18(21)20(11-14)12-15-6-4-5-9-17(15)24-16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKeyXJGWAQDDORESDN-UHFFFAOYSA-N
XLogP3.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402
[1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673840
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676615
4-(bromomethyl)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-one
CID 168505088
[5-oxo-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672695
[5-oxo-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673657
[1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672681
2-[(4-ethyl-2-oxopyrrolidin-1-yl)methyl]benzoic acid
CID 10106013
1-[[2-(difluoromethoxy)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671108
[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
[1-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673856

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride (CID 168673791) is [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1Cc1ccccc1Oc1ccccc1.
What is the InChIKey of [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is XJGWAQDDORESDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c19-25(22,23)13-14-10-18(21)20(11-14)12-15-6-4-5-9-17(15)24-16-7-2-1-3-8-16/h1-9,14H,10-13H2.
What are the key properties of [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 379.87 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).