methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate

C21H24ClNO4S — CID 67783424

IUPACmethyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C[C@@H]2CCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO4S/c1-27-21(24)14-16-7-5-15(6-8-16)13-17-3-2-4-20(17)23-28(25,26)19-11-9-18(22)10-12-19/h5-12,17,20,23H,2-4,13-14H2,1H3/t17-,20+/m0/s1
InChIKeyPZWRBBGICMUHRU-FXAWDEMLSA-N
MW421.95 g/mol
LogP3.75
Rot. Bonds7

About methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate

methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate (PubChem CID 67783424) has the molecular formula C21H24ClNO4S and a molecular weight of 421.95 g/mol. Its IUPAC name is methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
PubChem CID67783424
Molecular FormulaC21H24ClNO4S
Molecular Weight421.95 g/mol
Exact Mass421.11
IUPAC Namemethyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C[C@@H]2CCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO4S/c1-27-21(24)14-16-7-5-15(6-8-16)13-17-3-2-4-20(17)23-28(25,26)19-11-9-18(22)10-12-19/h5-12,17,20,23H,2-4,13-14H2,1H3/t17-,20+/m0/s1
InChIKeyPZWRBBGICMUHRU-FXAWDEMLSA-N
XLogP3.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate with MolForge

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Related Compounds

sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 23699670
2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid
CID 161417428
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate
CID 18999568
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858722
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate (CID 67783424) is methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate is COC(=O)Cc1ccc(C[C@@H]2CCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate?
The InChIKey is PZWRBBGICMUHRU-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H24ClNO4S/c1-27-21(24)14-16-7-5-15(6-8-16)13-17-3-2-4-20(17)23-28(25,26)19-11-9-18(22)10-12-19/h5-12,17,20,23H,2-4,13-14H2,1H3/t17-,20+/m0/s1.
What are the key properties of methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate?
methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate has a molecular weight of 421.95 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate is sourced from PubChem (CID 67783424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).