[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate

C27H25NO6S — CID 2102172

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C27H25NO6S/c1-33-25-11-10-21(16-26(25)35(31,32)28-12-4-5-13-28)27(30)34-17-24(29)20-9-8-19-14-18-6-2-3-7-22(18)23(19)15-20/h2-3,6-11,15-16H,4-5,12-14,17H2,1H3
InChIKeyMXCKIVBPLMBPNG-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.09
Rot. Bonds7

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 2102172) has the molecular formula C27H25NO6S and a molecular weight of 491.57 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID2102172
Molecular FormulaC27H25NO6S
Molecular Weight491.57 g/mol
Exact Mass491.14
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C27H25NO6S/c1-33-25-11-10-21(16-26(25)35(31,32)28-12-4-5-13-28)27(30)34-17-24(29)20-9-8-19-14-18-6-2-3-7-22(18)23(19)15-20/h2-3,6-11,15-16H,4-5,12-14,17H2,1H3
InChIKeyMXCKIVBPLMBPNG-UHFFFAOYSA-N
XLogP4.09
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate 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

[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2462527
(3,3-dimethyl-2-oxobutyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2691253
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2095942
[2-(methylamino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 18074318
(2-oxo-2-piperidin-1-ylethyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509356
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 55379181
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527565
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
2-phenylethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 17460667
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(diethylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509189
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate (CID 2102172) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate is COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is MXCKIVBPLMBPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO6S/c1-33-25-11-10-21(16-26(25)35(31,32)28-12-4-5-13-28)27(30)34-17-24(29)20-9-8-19-14-18-6-2-3-7-22(18)23(19)15-20/h2-3,6-11,15-16H,4-5,12-14,17H2,1H3.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 491.57 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2102172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).