methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate

C26H27ClFNO4S — CID 23353815

IUPACmethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(C(CCc2ccc(F)cc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H27ClFNO4S/c1-33-26(30)4-2-3-19-5-10-21(11-6-19)25(18-9-20-7-14-23(28)15-8-20)29-34(31,32)24-16-12-22(27)13-17-24/h5-8,10-17,25,29H,2-4,9,18H2,1H3
InChIKeyYTIOYVXCLASJRP-UHFFFAOYSA-N
MW504.02 g/mol
LogP5.63
Rot. Bonds11

About methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate

methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate (PubChem CID 23353815) has the molecular formula C26H27ClFNO4S and a molecular weight of 504.02 g/mol. Its IUPAC name is methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
PubChem CID23353815
Molecular FormulaC26H27ClFNO4S
Molecular Weight504.02 g/mol
Exact Mass503.13
IUPAC Namemethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(C(CCc2ccc(F)cc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H27ClFNO4S/c1-33-26(30)4-2-3-19-5-10-21(11-6-19)25(18-9-20-7-14-23(28)15-8-20)29-34(31,32)24-16-12-22(27)13-17-24/h5-8,10-17,25,29H,2-4,9,18H2,1H3
InChIKeyYTIOYVXCLASJRP-UHFFFAOYSA-N
XLogP5.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.02
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate with MolForge

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Related Compounds

methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]phenyl]butanoate
CID 67579791
methyl 4-[4-[6,6,6-trifluoro-1-[(4-fluorophenyl)sulfonylamino]hexyl]phenyl]butanoate
CID 67579712
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
ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]hexyl]phenyl]butanoate
CID 23353907
methyl 7-(4-fluorophenyl)-7-[(4-methoxyphenyl)sulfonylamino]heptanoate
CID 139616866
methyl 9-[(4-fluorophenyl)sulfonylamino]-9-phenylnonanoate
CID 139616966
methyl 4-[4-[1-[(4-bromophenyl)sulfonylamino]heptyl]phenyl]butanoate
CID 23353836
methyl 4-[4-[1-(benzenesulfonamido)-2-phenylethyl]phenyl]butanoate
CID 23353880
ethyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoate
CID 23353743
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-pyridin-3-ylmethyl]phenyl]butanoate
CID 10790087

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate?
The IUPAC name of methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate (CID 23353815) is methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate.
What is the SMILES notation for methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate?
The canonical SMILES for methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate is COC(=O)CCCc1ccc(C(CCc2ccc(F)cc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate?
The InChIKey is YTIOYVXCLASJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFNO4S/c1-33-26(30)4-2-3-19-5-10-21(11-6-19)25(18-9-20-7-14-23(28)15-8-20)29-34(31,32)24-16-12-22(27)13-17-24/h5-8,10-17,25,29H,2-4,9,18H2,1H3.
What are the key properties of methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate?
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate has a molecular weight of 504.02 g/mol, XLogP of 5.63, 11 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]-3-(4-fluorophenyl)propyl]phenyl]butanoate is sourced from PubChem (CID 23353815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).