2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid

C20H22ClNO4S — CID 161417428

IUPAC2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CC1CCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO4S/c21-17-8-10-18(11-9-17)27(25,26)22-19-7-3-6-16(19)12-14-4-1-2-5-15(14)13-20(23)24/h1-2,4-5,8-11,16,19,22H,3,6-7,12-13H2,(H,23,24)
InChIKeyVWGPPVAZFUDRQI-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.66
Rot. Bonds7

About 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid

2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid (PubChem CID 161417428) has the molecular formula C20H22ClNO4S and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid
PubChem CID161417428
Molecular FormulaC20H22ClNO4S
Molecular Weight407.92 g/mol
Exact Mass407.10
IUPAC Name2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CC1CCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO4S/c21-17-8-10-18(11-9-17)27(25,26)22-19-7-3-6-16(19)12-14-4-1-2-5-15(14)13-20(23)24/h1-2,4-5,8-11,16,19,22H,3,6-7,12-13H2,(H,23,24)
InChIKeyVWGPPVAZFUDRQI-UHFFFAOYSA-N
XLogP3.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 23699670
methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 67783424
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
CID 2975041
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
3-[(1R,2S)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanoic acid
CID 95654521
2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
CID 62961272
4-bromo-N-[2-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 106367478
N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
CID 124772278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid (CID 161417428) is 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CC1CCCC1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid?
The InChIKey is VWGPPVAZFUDRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4S/c21-17-8-10-18(11-9-17)27(25,26)22-19-7-3-6-16(19)12-14-4-1-2-5-15(14)13-20(23)24/h1-2,4-5,8-11,16,19,22H,3,6-7,12-13H2,(H,23,24).
What are the key properties of 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid?
2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid has a molecular weight of 407.92 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid is sourced from PubChem (CID 161417428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).