3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid

C21H17NO4S — CID 4844260

IUPAC3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO4S/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/h1-15,22H,(H,23,24)
InChIKeyGMDCTXFRJFFESK-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.25
Rot. Bonds6

About 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid

3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid (PubChem CID 4844260) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
PubChem CID4844260
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO4S/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/h1-15,22H,(H,23,24)
InChIKeyGMDCTXFRJFFESK-UHFFFAOYSA-N
XLogP4.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019619
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
(E)-3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2554303
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
3-[[4-[(E)-2-carboxyethenyl]phenyl]sulfonylamino]benzoic acid
CID 673258
(E)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 5344094
3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
(E)-3-[4-[(2-nitrophenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 2305897
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
(E)-3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 22492405
3-[4-[(2-acetylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4237126

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid (CID 4844260) is 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The InChIKey is GMDCTXFRJFFESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/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/h1-15,22H,(H,23,24).
What are the key properties of 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid has a molecular weight of 379.44 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 4844260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).