4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid

C23H21ClFNO4S — CID 10837737

IUPAC4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H21ClFNO4S/c24-19-11-13-21(14-12-19)31(29,30)26-23(18-4-2-5-20(25)15-18)17-9-7-16(8-10-17)3-1-6-22(27)28/h2,4-5,7-15,23,26H,1,3,6H2,(H,27,28)
InChIKeyPOAGLHQQAYJHHQ-UHFFFAOYSA-N
MW461.94 g/mol
LogP4.95
Rot. Bonds9

About 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid

4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid (PubChem CID 10837737) has the molecular formula C23H21ClFNO4S and a molecular weight of 461.94 g/mol. Its IUPAC name is 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid
PubChem CID10837737
Molecular FormulaC23H21ClFNO4S
Molecular Weight461.94 g/mol
Exact Mass461.09
IUPAC Name4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1
InChIInChI=1S/C23H21ClFNO4S/c24-19-11-13-21(14-12-19)31(29,30)26-23(18-4-2-5-20(25)15-18)17-9-7-16(8-10-17)3-1-6-22(27)28/h2,4-5,7-15,23,26H,1,3,6H2,(H,27,28)
InChIKeyPOAGLHQQAYJHHQ-UHFFFAOYSA-N
XLogP4.95
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.94
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid
CID 139616948
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
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-cyclohexylethyl]phenyl]butanoic acid
CID 10790279
methyl 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-3-(4-fluorophenyl)propyl]phenyl]butanoate
CID 23353815
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
CID 7516472
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600799
2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid
CID 67841348
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid?
The IUPAC name of 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid (CID 10837737) is 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid is O=C(O)CCCc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1.
What is the InChIKey of 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid?
The InChIKey is POAGLHQQAYJHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO4S/c24-19-11-13-21(14-12-19)31(29,30)26-23(18-4-2-5-20(25)15-18)17-9-7-16(8-10-17)3-1-6-22(27)28/h2,4-5,7-15,23,26H,1,3,6H2,(H,27,28).
What are the key properties of 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid?
4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid has a molecular weight of 461.94 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid is sourced from PubChem (CID 10837737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).