3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate

C15H13FNO4S- — CID 7516424

IUPAC3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H14FNO4S/c16-13-3-1-2-4-14(13)17-22(20,21)12-8-5-11(6-9-12)7-10-15(18)19/h1-6,8-9,17H,7,10H2,(H,18,19)/p-1
InChIKeyMTGXMLZFVFYMTI-UHFFFAOYSA-M
MW322.34 g/mol
LogP1.31
Rot. Bonds6

About 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate

3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate (PubChem CID 7516424) has the molecular formula C15H13FNO4S- and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate.

Molecular Properties

Compound Name3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate
PubChem CID7516424
Molecular FormulaC15H13FNO4S-
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H14FNO4S/c16-13-3-1-2-4-14(13)17-22(20,21)12-8-5-11(6-9-12)7-10-15(18)19/h1-6,8-9,17H,7,10H2,(H,18,19)/p-1
InChIKeyMTGXMLZFVFYMTI-UHFFFAOYSA-M
XLogP1.31
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Aminobenzene-1-sulfonyl)phenylalanine
CID 3112772
3-{4-[(4-Methylphenyl)sulfamoyl]phenyl}propanoic acid
CID 973159
4-[4-(Benzenesulfonylamino)-phenyl]-butyric acid
CID 9840035
4-Benzenesulfonylaminophenylacetic acid
CID 10446995
2-[4-(Benzenesulfonamido)phenyl]propanoic acid
CID 44427702
2-[4-[(4-Methylphenyl)sulfonylamino]phenyl]propanoic acid
CID 44427708
3-Fluoro-4-[(2-methylphenyl)sulfamoyl]benzoic acid
CID 72117289
3-Fluoro-4-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 72117393
Methyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]acetate
CID 18618651
4-[4-[(4-Methylphenyl)sulfonylamino]phenyl]butanoic acid
CID 13528384
4-[4-(Benzenesulfonamido)phenyl]-2,2-dimethylbutanoic acid
CID 19104268
2,2-Dimethyl-4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoic acid
CID 19104275

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate?
The IUPAC name of 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate (CID 7516424) is 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate.
What is the SMILES notation for 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate?
The canonical SMILES for 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate is O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate?
The InChIKey is MTGXMLZFVFYMTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14FNO4S/c16-13-3-1-2-4-14(13)17-22(20,21)12-8-5-11(6-9-12)7-10-15(18)19/h1-6,8-9,17H,7,10H2,(H,18,19)/p-1.
What are the key properties of 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate?
3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate has a molecular weight of 322.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-fluorophenyl)sulfamoyl]phenyl]propanoate is sourced from PubChem (CID 7516424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).