8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid

C20H23ClFNO4S — CID 139616948

IUPAC8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid
SMILESO=C(O)CCCCCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C20H23ClFNO4S/c21-16-10-12-18(13-11-16)28(26,27)23-19(15-6-5-7-17(22)14-15)8-3-1-2-4-9-20(24)25/h5-7,10-14,19,23H,1-4,8-9H2,(H,24,25)
InChIKeyXJVTUQOWWKZPKY-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.92
Rot. Bonds11

About 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid

8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid (PubChem CID 139616948) has the molecular formula C20H23ClFNO4S and a molecular weight of 427.93 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid.

Molecular Properties

Compound Name8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid
PubChem CID139616948
Molecular FormulaC20H23ClFNO4S
Molecular Weight427.93 g/mol
Exact Mass427.10
IUPAC Name8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid
SMILESO=C(O)CCCCCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C20H23ClFNO4S/c21-16-10-12-18(13-11-16)28(26,27)23-19(15-6-5-7-17(22)14-15)8-3-1-2-4-9-20(24)25/h5-7,10-14,19,23H,1-4,8-9H2,(H,24,25)
InChIKeyXJVTUQOWWKZPKY-UHFFFAOYSA-N
XLogP4.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[(4-chlorophenyl)sulfonylamino]-8-[4-(trifluoromethyl)phenyl]octanoic acid
CID 139616892
4-[4-[[(4-chlorophenyl)sulfonylamino]-(3-fluorophenyl)methyl]phenyl]butanoic acid
CID 10837737
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid
CID 139616882
methyl 9-[(4-fluorophenyl)sulfonylamino]-9-phenylnonanoate
CID 139616966
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid
CID 10002506
4-[5-[1-[(4-chlorophenyl)sulfonylamino]-6-fluorohexyl]thiophen-2-yl]butanoic acid
CID 67579336
9-[(4-chlorophenyl)sulfonylamino]-8-pyridin-3-ylnonanoic acid;hydrochloride
CID 45262201
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765
7-(4-fluorophenyl)-7-[[2-(trifluoromethyl)phenyl]sulfonylamino]heptanoic acid
CID 139616889
methyl 9-[(4-methoxyphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616851

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid?
The IUPAC name of 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid (CID 139616948) is 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid.
What is the SMILES notation for 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid?
The canonical SMILES for 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid is O=C(O)CCCCCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid?
The InChIKey is XJVTUQOWWKZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO4S/c21-16-10-12-18(13-11-16)28(26,27)23-19(15-6-5-7-17(22)14-15)8-3-1-2-4-9-20(24)25/h5-7,10-14,19,23H,1-4,8-9H2,(H,24,25).
What are the key properties of 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid?
8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid has a molecular weight of 427.93 g/mol, XLogP of 4.92, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid is sourced from PubChem (CID 139616948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).