7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid

C20H24FNO4S — CID 139616882

IUPAC7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid
SMILESCc1ccc(S(=O)(=O)NC(CCCCCC(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO4S/c1-15-7-13-18(14-8-15)27(25,26)22-19(5-3-2-4-6-20(23)24)16-9-11-17(21)12-10-16/h7-14,19,22H,2-6H2,1H3,(H,23,24)
InChIKeyOMDFMFGOJABMTJ-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.19
Rot. Bonds10

About 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid

7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid (PubChem CID 139616882) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid.

Molecular Properties

Compound Name7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid
PubChem CID139616882
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid
SMILESCc1ccc(S(=O)(=O)NC(CCCCCC(=O)O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO4S/c1-15-7-13-18(14-8-15)27(25,26)22-19(5-3-2-4-6-20(23)24)16-9-11-17(21)12-10-16/h7-14,19,22H,2-6H2,1H3,(H,23,24)
InChIKeyOMDFMFGOJABMTJ-UHFFFAOYSA-N
XLogP4.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.19
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

methyl 9-[(4-fluorophenyl)sulfonylamino]-9-phenylnonanoate
CID 139616966
methyl 7-[(4-methylphenyl)sulfonylamino]-7-phenylheptanoate
CID 139616765
methyl 7-(4-fluorophenyl)-7-[(4-methoxyphenyl)sulfonylamino]heptanoate
CID 139616866
7-(4-fluorophenyl)-7-[[2-(trifluoromethyl)phenyl]sulfonylamino]heptanoic acid
CID 139616889
8-[(4-chlorophenyl)sulfonylamino]-8-[4-(trifluoromethyl)phenyl]octanoic acid
CID 139616892
8-[(4-chlorophenyl)sulfonylamino]-8-(3-fluorophenyl)octanoic acid
CID 139616948
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid
CID 110671710
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
4-[5-[6-fluoro-1-[(4-fluorophenyl)sulfonylamino]hexyl]thiophen-2-yl]butanoic acid
CID 67579857
(4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 67626596
N-[(1R)-1-(4-fluorophenyl)-2-methylidene-3-oxopentyl]-4-methylbenzenesulfonamide
CID 134926200
methyl 8-(4-fluorophenyl)-8-[[3-(trifluoromethyl)phenyl]sulfonylamino]octanoate
CID 139616929

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid?
The IUPAC name of 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid (CID 139616882) is 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid.
What is the SMILES notation for 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid?
The canonical SMILES for 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid is Cc1ccc(S(=O)(=O)NC(CCCCCC(=O)O)c2ccc(F)cc2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid?
The InChIKey is OMDFMFGOJABMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-15-7-13-18(14-8-15)27(25,26)22-19(5-3-2-4-6-20(23)24)16-9-11-17(21)12-10-16/h7-14,19,22H,2-6H2,1H3,(H,23,24).
What are the key properties of 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid?
7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid has a molecular weight of 393.48 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid is sourced from PubChem (CID 139616882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).