methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate

C19H20ClNO4S — CID 18999568

IUPACmethyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C2(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClNO4S/c1-25-18(22)12-14-2-4-15(5-3-14)19(10-11-19)13-21-26(23,24)17-8-6-16(20)7-9-17/h2-9,21H,10-13H2,1H3
InChIKeyAGCXWCGQPRPAEX-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.07
Rot. Bonds7

About methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate

methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate (PubChem CID 18999568) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate
PubChem CID18999568
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Namemethyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C2(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClNO4S/c1-25-18(22)12-14-2-4-15(5-3-14)19(10-11-19)13-21-26(23,24)17-8-6-16(20)7-9-17/h2-9,21H,10-13H2,1H3
InChIKeyAGCXWCGQPRPAEX-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate with MolForge

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]benzenesulfonamide
CID 110444598
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
4-tert-butyl-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269363
acetic acid;4-chloro-N-[[1-[(4-ethylphenyl)methyl]cyclopentyl]methyl]benzenesulfonamide
CID 162054654
methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 67783424
methyl 2-[4-(3,3-dimethylbutylsulfamoyl)phenyl]acetate
CID 115625364
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113090740
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
2-(4-aminophenyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772654
methyl 2-[4-(2-methylsulfanylpropylsulfamoyl)phenyl]acetate
CID 115756345
4-tert-butyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzenesulfonamide
CID 42269691

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate (CID 18999568) is methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate is COC(=O)Cc1ccc(C2(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate?
The InChIKey is AGCXWCGQPRPAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c1-25-18(22)12-14-2-4-15(5-3-14)19(10-11-19)13-21-26(23,24)17-8-6-16(20)7-9-17/h2-9,21H,10-13H2,1H3.
What are the key properties of methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate?
methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate has a molecular weight of 393.89 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[1-[[(4-chlorophenyl)sulfonylamino]methyl]cyclopropyl]phenyl]acetate is sourced from PubChem (CID 18999568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).