(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide

C16H13FN4O3S — CID 108841821

IUPAC(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13FN4O3S/c17-12-1-3-13(4-2-12)20-10-11(9-18)16(22)21-14-5-7-15(8-6-14)25(19,23)24/h1-8,10,20H,(H,21,22)(H2,19,23,24)/b11-10-
InChIKeyOZWRCZIJPPIYFK-KHPPLWFESA-N
MW360.37 g/mol
LogP1.93
Rot. Bonds5

About (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide

(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 108841821) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID108841821
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H13FN4O3S/c17-12-1-3-13(4-2-12)20-10-11(9-18)16(22)21-14-5-7-15(8-6-14)25(19,23)24/h1-8,10,20H,(H,21,22)(H2,19,23,24)/b11-10-
InChIKeyOZWRCZIJPPIYFK-KHPPLWFESA-N
XLogP1.93
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
4-[[(Z)-2-cyano-3-(4-fluoroanilino)prop-2-enoyl]amino]benzoic acid
CID 108823231
4-[[(Z)-3-(4-aminoanilino)-2-cyanoprop-2-enoyl]amino]benzenesulfonic acid
CID 108819038
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(4-sulfamoylanilino)prop-2-enamide
CID 108849212
(Z)-2-cyano-N-(2-nitrophenyl)-3-(4-sulfamoylanilino)prop-2-enamide
CID 108816492
(E)-2-cyano-3-[4-[(4-fluorophenyl)methoxy]phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1070982
4-[[(Z)-2-cyano-3-[4-(trifluoromethyl)anilino]prop-2-enoyl]amino]benzenesulfonic acid
CID 108819347
3-[[(Z)-2-cyano-3-(4-sulfamoylanilino)prop-2-enoyl]amino]propanoic acid
CID 108817610
ethyl 4-[[(Z)-2-cyano-3-(4-fluoroanilino)prop-2-enoyl]amino]benzoate
CID 108823977
(Z)-2-cyano-3-(2,2-dimethoxyethylamino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841963
(Z)-N-(4-chlorophenyl)-2-cyano-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108860793

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide (CID 108841821) is (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide is N#C/C(=C/Nc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is OZWRCZIJPPIYFK-KHPPLWFESA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-12-1-3-13(4-2-12)20-10-11(9-18)16(22)21-14-5-7-15(8-6-14)25(19,23)24/h1-8,10,20H,(H,21,22)(H2,19,23,24)/b11-10-.
What are the key properties of (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 360.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-fluoroanilino)-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 108841821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).