methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate

C16H14FNO4S — CID 67019528

IUPACmethyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO4S/c1-22-16(19)9-8-12-4-2-7-15(10-12)23(20,21)18-14-6-3-5-13(17)11-14/h2-11,18H,1H3
InChIKeyPSUJHRSLWBVBSO-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.81
Rot. Bonds5

About methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate

methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate (PubChem CID 67019528) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate
PubChem CID67019528
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Namemethyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO4S/c1-22-16(19)9-8-12-4-2-7-15(10-12)23(20,21)18-14-6-3-5-13(17)11-14/h2-11,18H,1H3
InChIKeyPSUJHRSLWBVBSO-UHFFFAOYSA-N
XLogP2.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 67019511
methyl (E)-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 20780474
methyl (E)-3-[3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 155135938
3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenesulfonate
CID 59145590
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900
N-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 6460904
methyl 3-[4-(benzenesulfonamido)phenyl]prop-2-enoate
CID 67019618
3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019506
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
methyl 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]prop-2-enoate
CID 67019599
(E)-3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 22492405
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate (CID 67019528) is methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate is COC(=O)C=Cc1cccc(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate?
The InChIKey is PSUJHRSLWBVBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c1-22-16(19)9-8-12-4-2-7-15(10-12)23(20,21)18-14-6-3-5-13(17)11-14/h2-11,18H,1H3.
What are the key properties of methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate?
methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate has a molecular weight of 335.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(3-fluorophenyl)sulfamoyl]phenyl]prop-2-enoate is sourced from PubChem (CID 67019528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).