(E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide

C16H13F3N2O4S — CID 26500397

IUPAC(E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O4S/c17-16(18,19)25-13-6-1-11(2-7-13)3-10-15(22)21-12-4-8-14(9-5-12)26(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+
InChIKeyLLIOXDFZHJSTMG-XCVCLJGOSA-N
MW386.35 g/mol
LogP2.88
Rot. Bonds5

About (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 26500397) has the molecular formula C16H13F3N2O4S and a molecular weight of 386.35 g/mol. Its IUPAC name is (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID26500397
Molecular FormulaC16H13F3N2O4S
Molecular Weight386.35 g/mol
Exact Mass386.05
IUPAC Name(E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O4S/c17-16(18,19)25-13-6-1-11(2-7-13)3-10-15(22)21-12-4-8-14(9-5-12)26(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+
InChIKeyLLIOXDFZHJSTMG-XCVCLJGOSA-N
XLogP2.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 52.88
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

2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxamide
CID 917163
(2E)-2-cyano-3-(2-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070922
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
(E)-2-cyano-3-(4-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371576
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 25981084
(E)-2-cyano-N-(4-sulfamoylphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 71578500
N-(2-fluoro-4-sulfamoylphenyl)-2-(4-methoxyphenyl)acetamide
CID 71764402
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
({[4-(Difluoromethoxy)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815191
N-(4-((2-(4-Methoxybenzylidene)hydrazino)sulfonyl)phenyl)acetamide
CID 6473971

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide (CID 26500397) is (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is LLIOXDFZHJSTMG-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H13F3N2O4S/c17-16(18,19)25-13-6-1-11(2-7-13)3-10-15(22)21-12-4-8-14(9-5-12)26(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+.
What are the key properties of (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 386.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-sulfamoylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 26500397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).