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

C20H21ClNNaO4S — CID 23699670

IUPACsodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
SMILESO=C([O-])Cc1ccc(C[C@@H]2CCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1.[Na+]
InChIInChI=1S/C20H22ClNO4S.Na/c21-17-8-10-18(11-9-17)27(25,26)22-19-3-1-2-16(19)12-14-4-6-15(7-5-14)13-20(23)24;/h4-11,16,19,22H,1-3,12-13H2,(H,23,24);/q;+1/p-1/t16-,19+;/m0./s1
InChIKeyWTRBMRUGYPROPS-ZKKBRJJYSA-M
MW429.90 g/mol
LogP-0.67
Rot. Bonds7

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

sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate (PubChem CID 23699670) has the molecular formula C20H21ClNNaO4S and a molecular weight of 429.90 g/mol. Its IUPAC name is sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate.

Molecular Properties

Compound Namesodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
PubChem CID23699670
Molecular FormulaC20H21ClNNaO4S
Molecular Weight429.90 g/mol
Exact Mass429.08
IUPAC Namesodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
SMILESO=C([O-])Cc1ccc(C[C@@H]2CCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1.[Na+]
InChIInChI=1S/C20H22ClNO4S.Na/c21-17-8-10-18(11-9-17)27(25,26)22-19-3-1-2-16(19)12-14-4-6-15(7-5-14)13-20(23)24;/h4-11,16,19,22H,1-3,12-13H2,(H,23,24);/q;+1/p-1/t16-,19+;/m0./s1
InChIKeyWTRBMRUGYPROPS-ZKKBRJJYSA-M
XLogP-0.67
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 67783424
2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid
CID 161417428
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858722
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide
CID 11201055
2-(4-chlorophenyl)acetate
CID 5460378
2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
CID 62961272
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542

Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate?
The IUPAC name of sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate (CID 23699670) is sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate.
What is the SMILES notation for sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate?
The canonical SMILES for sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate is O=C([O-])Cc1ccc(C[C@@H]2CCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1.[Na+].
What is the InChIKey of sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate?
The InChIKey is WTRBMRUGYPROPS-ZKKBRJJYSA-M. The full InChI is InChI=1S/C20H22ClNO4S.Na/c21-17-8-10-18(11-9-17)27(25,26)22-19-3-1-2-16(19)12-14-4-6-15(7-5-14)13-20(23)24;/h4-11,16,19,22H,1-3,12-13H2,(H,23,24);/q;+1/p-1/t16-,19+;/m0./s1.
What are the key properties of sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate?
sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate has a molecular weight of 429.90 g/mol, XLogP of -0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate is sourced from PubChem (CID 23699670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).