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

C16H13F2NO5S — CID 67019652

IUPAC3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C16H13F2NO5S/c17-16(18)24-13-7-5-12(6-8-13)19-25(22,23)14-3-1-2-11(10-14)4-9-15(20)21/h1-10,16,19H,(H,20,21)
InChIKeyDFSQVSXVPDVWMZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.19
Rot. Bonds7

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

3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid (PubChem CID 67019652) has the molecular formula C16H13F2NO5S and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
PubChem CID67019652
Molecular FormulaC16H13F2NO5S
Molecular Weight369.35 g/mol
Exact Mass369.05
IUPAC Name3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C16H13F2NO5S/c17-16(18)24-13-7-5-12(6-8-13)19-25(22,23)14-3-1-2-11(10-14)4-9-15(20)21/h1-10,16,19H,(H,20,21)
InChIKeyDFSQVSXVPDVWMZ-UHFFFAOYSA-N
XLogP3.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[3-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 20780415
(E)-3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 22492405
3-[3-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 3530027
3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019506
methyl (E)-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 20780474
3-[3-(propan-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 54971829
methyl 3-[3-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 67019511
N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide
CID 68950178
methyl (E)-3-[3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 155135938
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
3-[3-(benzhydrylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019562
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid (CID 67019652) is 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid is O=C(O)C=Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid?
The InChIKey is DFSQVSXVPDVWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO5S/c17-16(18)24-13-7-5-12(6-8-13)19-25(22,23)14-3-1-2-11(10-14)4-9-15(20)21/h1-10,16,19H,(H,20,21).
What are the key properties of 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid?
3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid has a molecular weight of 369.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 67019652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).