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

C24H32ClNO4S — CID 23353907

IUPACethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate
SMILESCCCCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(CCCC(=O)OCC)cc1
InChIInChI=1S/C24H32ClNO4S/c1-3-5-6-9-23(26-31(28,29)22-17-15-21(25)16-18-22)20-13-11-19(12-14-20)8-7-10-24(27)30-4-2/h11-18,23,26H,3-10H2,1-2H3
InChIKeyCDMAHLDLSMONFF-UHFFFAOYSA-N
MW466.04 g/mol
LogP5.83
Rot. Bonds13

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

ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate (PubChem CID 23353907) has the molecular formula C24H32ClNO4S and a molecular weight of 466.04 g/mol. Its IUPAC name is ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate
PubChem CID23353907
Molecular FormulaC24H32ClNO4S
Molecular Weight466.04 g/mol
Exact Mass465.17
IUPAC Nameethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate
SMILESCCCCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(CCCC(=O)OCC)cc1
InChIInChI=1S/C24H32ClNO4S/c1-3-5-6-9-23(26-31(28,29)22-17-15-21(25)16-18-22)20-13-11-19(12-14-20)8-7-10-24(27)30-4-2/h11-18,23,26H,3-10H2,1-2H3
InChIKeyCDMAHLDLSMONFF-UHFFFAOYSA-N
XLogP5.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.04
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate
CID 23353743
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]phenyl]butanoate
CID 67579791
methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]heptyl]phenyl]butanoate
CID 23353836
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
CID 23353815
methyl 5-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-methylhexyl]phenyl]pentanoate
CID 23353761
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-cyclohexylpentyl]phenyl]butanoate
CID 10602029
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-(4-hexylcyclohexyl)methyl]phenyl]butanoate
CID 23353773
methyl 4-[4-[6,6,6-trifluoro-1-[(4-fluorophenyl)sulfonylamino]hexyl]phenyl]butanoate
CID 67579712
diethyl 2-[(4-butylphenyl)sulfonylamino]propanedioate
CID 5007632
N-[1-(4-butylphenyl)-2-(2-fluorophenyl)ethyl]-4-chlorobenzenesulfonamide
CID 57071853

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate?
The IUPAC name of ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate (CID 23353907) is ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate.
What is the SMILES notation for ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate?
The canonical SMILES for ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate is CCCCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(CCCC(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate?
The InChIKey is CDMAHLDLSMONFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO4S/c1-3-5-6-9-23(26-31(28,29)22-17-15-21(25)16-18-22)20-13-11-19(12-14-20)8-7-10-24(27)30-4-2/h11-18,23,26H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate?
ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate has a molecular weight of 466.04 g/mol, XLogP of 5.83, 13 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]hexyl]phenyl]butanoate is sourced from PubChem (CID 23353907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).