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

C16H15NO5S — CID 2345488

IUPAC(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1
InChIInChI=1S/C16H15NO5S/c1-22-14-7-5-13(6-8-14)17-23(20,21)15-9-2-12(3-10-15)4-11-16(18)19/h2-11,17H,1H3,(H,18,19)/b11-4+
InChIKeyUFDLWQHLUTYJMQ-NYYWCZLTSA-N
MW333.37 g/mol
LogP2.59
Rot. Bonds6

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

(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid (PubChem CID 2345488) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
PubChem CID2345488
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Name(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1
InChIInChI=1S/C16H15NO5S/c1-22-14-7-5-13(6-8-14)17-23(20,21)15-9-2-12(3-10-15)4-11-16(18)19/h2-11,17H,1H3,(H,18,19)/b11-4+
InChIKeyUFDLWQHLUTYJMQ-NYYWCZLTSA-N
XLogP2.59
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
CID 69129935
CID 69129935
2-phenoxyethyl (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 35519063
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019619
3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4276239
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
(E)-3-[4-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2554303
(E)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186907
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26666081

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid (CID 2345488) is (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid is COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)cc1.
What is the InChIKey of (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
The InChIKey is UFDLWQHLUTYJMQ-NYYWCZLTSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-22-14-7-5-13(6-8-14)17-23(20,21)15-9-2-12(3-10-15)4-11-16(18)19/h2-11,17H,1H3,(H,18,19)/b11-4+.
What are the key properties of (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid?
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid has a molecular weight of 333.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 2345488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).