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

C15H12ClNO4S — CID 67019619

IUPAC3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClNO4S/c16-12-4-6-13(7-5-12)17-22(20,21)14-8-1-11(2-9-14)3-10-15(18)19/h1-10,17H,(H,18,19)
InChIKeyLKTNPYWZGOPTLQ-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.24
Rot. Bonds5

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

3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid (PubChem CID 67019619) has the molecular formula C15H12ClNO4S and a molecular weight of 337.78 g/mol. Its IUPAC name is 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
PubChem CID67019619
Molecular FormulaC15H12ClNO4S
Molecular Weight337.78 g/mol
Exact Mass337.02
IUPAC Name3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClNO4S/c16-12-4-6-13(7-5-12)17-22(20,21)14-8-1-11(2-9-14)3-10-15(18)19/h1-10,17H,(H,18,19)
InChIKeyLKTNPYWZGOPTLQ-UHFFFAOYSA-N
XLogP3.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.24
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)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
(E)-3-[3-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 20780415
(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid
CID 11176374
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide
CID 10249964
(E)-3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2554303
3-[[4-[(E)-2-carboxyethenyl]phenyl]sulfonylamino]benzoic acid
CID 673258
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid (CID 67019619) is 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The InChIKey is LKTNPYWZGOPTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4S/c16-12-4-6-13(7-5-12)17-22(20,21)14-8-1-11(2-9-14)3-10-15(18)19/h1-10,17H,(H,18,19).
What are the key properties of 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid?
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid has a molecular weight of 337.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 67019619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).