5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid

C23H21ClFNO5S — CID 67789197

IUPAC5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid
SMILESO=C(O)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C23H21ClFNO5S/c24-18-4-10-22(11-5-18)32(29,30)26-13-12-17(15-23(27)28)16-2-1-3-21(14-16)31-20-8-6-19(25)7-9-20/h1-11,14,17,26H,12-13,15H2,(H,27,28)
InChIKeyRBKUMFSQBYKUAP-UHFFFAOYSA-N
MW477.94 g/mol
LogP5.20
Rot. Bonds10

About 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid

5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid (PubChem CID 67789197) has the molecular formula C23H21ClFNO5S and a molecular weight of 477.94 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid
PubChem CID67789197
Molecular FormulaC23H21ClFNO5S
Molecular Weight477.94 g/mol
Exact Mass477.08
IUPAC Name5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid
SMILESO=C(O)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C23H21ClFNO5S/c24-18-4-10-22(11-5-18)32(29,30)26-13-12-17(15-23(27)28)16-2-1-3-21(14-16)31-20-8-6-19(25)7-9-20/h1-11,14,17,26H,12-13,15H2,(H,27,28)
InChIKeyRBKUMFSQBYKUAP-UHFFFAOYSA-N
XLogP5.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.94
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-chlorophenoxy)phenyl]-3-[[2-(2,4-difluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]propanoic acid
CID 144600215
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid
CID 139616948
N-[(3S)-5-hydroxy-3-phenylpentyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99872886
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
methyl 8-[(4-chlorophenyl)sulfonylamino]-4-(3-pyridin-3-ylphenyl)octanoate
CID 19874753
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
3-[3-(4-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)sulfonyl-N-hydroxypropanamide
CID 22463227
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
(2S)-2-[[2-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]acetyl]amino]-3-phenylpropanoic acid
CID 67942585

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid (CID 67789197) is 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid is O=C(O)CC(CCNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid?
The InChIKey is RBKUMFSQBYKUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO5S/c24-18-4-10-22(11-5-18)32(29,30)26-13-12-17(15-23(27)28)16-2-1-3-21(14-16)31-20-8-6-19(25)7-9-20/h1-11,14,17,26H,12-13,15H2,(H,27,28).
What are the key properties of 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid?
5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid has a molecular weight of 477.94 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylamino]-3-[3-(4-fluorophenoxy)phenyl]pentanoic acid is sourced from PubChem (CID 67789197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).