methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate

C23H28ClNO4S — CID 23353797

IUPACmethyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(CC2(NS(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C23H28ClNO4S/c1-29-22(26)6-4-5-18-7-9-19(10-8-18)17-23(15-2-3-16-23)25-30(27,28)21-13-11-20(24)12-14-21/h7-14,25H,2-6,15-17H2,1H3
InChIKeyJTMSZNAYIPZGMY-UHFFFAOYSA-N
MW450.00 g/mol
LogP4.67
Rot. Bonds9

About methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate

methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate (PubChem CID 23353797) has the molecular formula C23H28ClNO4S and a molecular weight of 450.00 g/mol. Its IUPAC name is methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate
PubChem CID23353797
Molecular FormulaC23H28ClNO4S
Molecular Weight450.00 g/mol
Exact Mass449.14
IUPAC Namemethyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(CC2(NS(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C23H28ClNO4S/c1-29-22(26)6-4-5-18-7-9-19(10-8-18)17-23(15-2-3-16-23)25-30(27,28)21-13-11-20(24)12-14-21/h7-14,25H,2-6,15-17H2,1H3
InChIKeyJTMSZNAYIPZGMY-UHFFFAOYSA-N
XLogP4.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate with MolForge

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Related Compounds

methyl 4-[4-(4-chlorobenzoyl)phenyl]butanoate
CID 10781715
methyl 4-(4-methylsulfonylphenyl)butanoate
CID 98784574
methyl 4-(4-ethylsulfonylphenyl)butanoate
CID 98033395
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-cyclohexylpentyl]phenyl]butanoate
CID 10602029
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
CID 23353815
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]phenyl]butanoate
CID 67579791
N-[1-(hydroxymethyl)cyclopentyl]-4-propylbenzenesulfonamide
CID 62520894
methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-3-ylmethyl]phenyl]butanoate
CID 10790087
methyl 5-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-methylhexyl]phenyl]pentanoate
CID 23353761
acetic acid;4-chloro-N-[[1-[(4-ethylphenyl)methyl]cyclopentyl]methyl]benzenesulfonamide
CID 162054654
sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride
CID 173348194
methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-(4-hexylcyclohexyl)methyl]phenyl]butanoate
CID 23353773

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate?
The IUPAC name of methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate (CID 23353797) is methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate.
What is the SMILES notation for methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate?
The canonical SMILES for methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate is COC(=O)CCCc1ccc(CC2(NS(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate?
The InChIKey is JTMSZNAYIPZGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO4S/c1-29-22(26)6-4-5-18-7-9-19(10-8-18)17-23(15-2-3-16-23)25-30(27,28)21-13-11-20(24)12-14-21/h7-14,25H,2-6,15-17H2,1H3.
What are the key properties of methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate?
methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate has a molecular weight of 450.00 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]butanoate is sourced from PubChem (CID 23353797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).