3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate

C21H18NO4S- — CID 8009335

IUPAC3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO4S/c23-21(24)15-8-16-6-13-20(14-7-16)27(25,26)22-19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-7,9-14,22H,8,15H2,(H,23,24)/p-1
InChIKeyUINPJJFJCGKYHS-UHFFFAOYSA-M
MW380.45 g/mol
LogP2.84
Rot. Bonds7

About 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate

3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate (PubChem CID 8009335) has the molecular formula C21H18NO4S- and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate.

Molecular Properties

Compound Name3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
PubChem CID8009335
Molecular FormulaC21H18NO4S-
Molecular Weight380.45 g/mol
Exact Mass380.10
IUPAC Name3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO4S/c23-21(24)15-8-16-6-13-20(14-7-16)27(25,26)22-19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-7,9-14,22H,8,15H2,(H,23,24)/p-1
InChIKeyUINPJJFJCGKYHS-UHFFFAOYSA-M
XLogP2.84
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

disodium;bis(3-(4-phenylphenyl)propanoate);hydrate
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3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate?
The IUPAC name of 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate (CID 8009335) is 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate.
What is the SMILES notation for 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate?
The canonical SMILES for 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate is O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate?
The InChIKey is UINPJJFJCGKYHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H19NO4S/c23-21(24)15-8-16-6-13-20(14-7-16)27(25,26)22-19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-7,9-14,22H,8,15H2,(H,23,24)/p-1.
What are the key properties of 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate?
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate has a molecular weight of 380.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate is sourced from PubChem (CID 8009335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).