3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate

C16H15FNO4S- — CID 7516478

IUPAC3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1
InChIInChI=1S/C16H16FNO4S/c1-11-2-6-13(17)10-15(11)18-23(21,22)14-7-3-12(4-8-14)5-9-16(19)20/h2-4,6-8,10,18H,5,9H2,1H3,(H,19,20)/p-1
InChIKeyPNCPWNKRCHPNIW-UHFFFAOYSA-M
MW336.36 g/mol
LogP1.62
Rot. Bonds6

About 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate

3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate (PubChem CID 7516478) has the molecular formula C16H15FNO4S- and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate.

Molecular Properties

Compound Name3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate
PubChem CID7516478
Molecular FormulaC16H15FNO4S-
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1
InChIInChI=1S/C16H16FNO4S/c1-11-2-6-13(17)10-15(11)18-23(21,22)14-7-3-12(4-8-14)5-9-16(19)20/h2-4,6-8,10,18H,5,9H2,1H3,(H,19,20)/p-1
InChIKeyPNCPWNKRCHPNIW-UHFFFAOYSA-M
XLogP1.62
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{4-[(4-Methylphenyl)sulfamoyl]phenyl}propanoic acid
CID 973159
4-[4-(Benzenesulfonylamino)-phenyl]-butyric acid
CID 9840035
Ditert-butyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]propanedioate
CID 53382853
4-Benzenesulfonylaminophenylacetic acid
CID 10446995
2-[4-(Benzenesulfonamido)phenyl]propanoic acid
CID 44427702
2-[4-[(4-Methylphenyl)sulfonylamino]phenyl]propanoic acid
CID 44427708
Dimethyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]propanedioate
CID 53382852
3-Fluoro-4-[(2-methylphenyl)sulfamoyl]benzoic acid
CID 72117289
Methyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]acetate
CID 18618651
5-Fluoro-2-[(4-propylphenyl)sulfonylamino]benzoic acid
CID 51109635
4-[4-[(4-Methylphenyl)sulfonylamino]phenyl]butanoic acid
CID 13528384
4-[4-(Benzenesulfonamido)phenyl]-2,2-dimethylbutanoic acid
CID 19104268

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate?
The IUPAC name of 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate (CID 7516478) is 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate.
What is the SMILES notation for 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate?
The canonical SMILES for 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate is Cc1ccc(F)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1.
What is the InChIKey of 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate?
The InChIKey is PNCPWNKRCHPNIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16FNO4S/c1-11-2-6-13(17)10-15(11)18-23(21,22)14-7-3-12(4-8-14)5-9-16(19)20/h2-4,6-8,10,18H,5,9H2,1H3,(H,19,20)/p-1.
What are the key properties of 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate?
3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate has a molecular weight of 336.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]phenyl]propanoate is sourced from PubChem (CID 7516478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).