ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate

C26H28ClNO4S — CID 23353743

IUPACethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate
SMILESCCOC(=O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H28ClNO4S/c1-2-32-26(29)10-6-9-20-11-13-22(14-12-20)25(19-21-7-4-3-5-8-21)28-33(30,31)24-17-15-23(27)16-18-24/h3-5,7-8,11-18,25,28H,2,6,9-10,19H2,1H3
InChIKeyUXJDXXZOLOPYCM-UHFFFAOYSA-N
MW486.03 g/mol
LogP5.49
Rot. Bonds11

About ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate

ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate (PubChem CID 23353743) has the molecular formula C26H28ClNO4S and a molecular weight of 486.03 g/mol. Its IUPAC name is ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate
PubChem CID23353743
Molecular FormulaC26H28ClNO4S
Molecular Weight486.03 g/mol
Exact Mass485.14
IUPAC Nameethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate
SMILESCCOC(=O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H28ClNO4S/c1-2-32-26(29)10-6-9-20-11-13-22(14-12-20)25(19-21-7-4-3-5-8-21)28-33(30,31)24-17-15-23(27)16-18-24/h3-5,7-8,11-18,25,28H,2,6,9-10,19H2,1H3
InChIKeyUXJDXXZOLOPYCM-UHFFFAOYSA-N
XLogP5.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.03
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate
CID 23353907
methyl 4-[4-[1-(benzenesulfonamido)-2-phenylethyl]phenyl]butanoate
CID 23353880
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
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-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide
CID 57071853
methyl 5-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-methylhexyl]phenyl]pentanoate
CID 23353761
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-cyclohexylpentyl]phenyl]butanoate
CID 10602029
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid
CID 10790279

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate?
The IUPAC name of ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate (CID 23353743) is ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate.
What is the SMILES notation for ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate?
The canonical SMILES for ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate is CCOC(=O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate?
The InChIKey is UXJDXXZOLOPYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO4S/c1-2-32-26(29)10-6-9-20-11-13-22(14-12-20)25(19-21-7-4-3-5-8-21)28-33(30,31)24-17-15-23(27)16-18-24/h3-5,7-8,11-18,25,28H,2,6,9-10,19H2,1H3.
What are the key properties of ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate?
ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate has a molecular weight of 486.03 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate is sourced from PubChem (CID 23353743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).