4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid

C24H24ClNO4S — CID 11798102

IUPAC4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClNO4S/c25-21-13-15-22(16-14-21)31(29,30)26-23(17-19-5-2-1-3-6-19)20-11-9-18(10-12-20)7-4-8-24(27)28/h1-3,5-6,9-16,23,26H,4,7-8,17H2,(H,27,28)
InChIKeyDDJWXIGSFZKOTD-UHFFFAOYSA-N
MW457.98 g/mol
LogP5.01
Rot. Bonds10

About 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid

4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid (PubChem CID 11798102) has the molecular formula C24H24ClNO4S and a molecular weight of 457.98 g/mol. Its IUPAC name is 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid
PubChem CID11798102
Molecular FormulaC24H24ClNO4S
Molecular Weight457.98 g/mol
Exact Mass457.11
IUPAC Name4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid
SMILESO=C(O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClNO4S/c25-21-13-15-22(16-14-21)31(29,30)26-23(17-19-5-2-1-3-6-19)20-11-9-18(10-12-20)7-4-8-24(27)28/h1-3,5-6,9-16,23,26H,4,7-8,17H2,(H,27,28)
InChIKeyDDJWXIGSFZKOTD-UHFFFAOYSA-N
XLogP5.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid?
The IUPAC name of 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid (CID 11798102) is 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid is O=C(O)CCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid?
The InChIKey is DDJWXIGSFZKOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4S/c25-21-13-15-22(16-14-21)31(29,30)26-23(17-19-5-2-1-3-6-19)20-11-9-18(10-12-20)7-4-8-24(27)28/h1-3,5-6,9-16,23,26H,4,7-8,17H2,(H,27,28).
What are the key properties of 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid?
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid has a molecular weight of 457.98 g/mol, XLogP of 5.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]phenyl]butanoic acid is sourced from PubChem (CID 11798102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).