(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide

C23H20ClFN2O4S — CID 60575699

IUPAC(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide
SMILESCOc1ccc(NC(=O)/C=C(/C)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H20ClFN2O4S/c1-15(17-7-3-5-9-19(17)25)13-23(28)26-16-11-12-21(31-2)22(14-16)32(29,30)27-20-10-6-4-8-18(20)24/h3-14,27H,1-2H3,(H,26,28)/b15-13-
InChIKeyVAFMTDKLIQTFPO-SQFISAMPSA-N
MW474.94 g/mol
LogP5.33
Rot. Bonds7

About (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide

(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide (PubChem CID 60575699) has the molecular formula C23H20ClFN2O4S and a molecular weight of 474.94 g/mol. Its IUPAC name is (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide
PubChem CID60575699
Molecular FormulaC23H20ClFN2O4S
Molecular Weight474.94 g/mol
Exact Mass474.08
IUPAC Name(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide
SMILESCOc1ccc(NC(=O)/C=C(/C)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H20ClFN2O4S/c1-15(17-7-3-5-9-19(17)25)13-23(28)26-16-11-12-21(31-2)22(14-16)32(29,30)27-20-10-6-4-8-18(20)24/h3-14,27H,1-2H3,(H,26,28)/b15-13-
InChIKeyVAFMTDKLIQTFPO-SQFISAMPSA-N
XLogP5.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.94
LogP ≤ 55.33
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-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)but-2-enamide
CID 76869379
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
CID 24637119
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 24637106
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 5179877
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3911593
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4007249
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167764718

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide?
The IUPAC name of (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide (CID 60575699) is (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide.
What is the SMILES notation for (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide?
The canonical SMILES for (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide is COc1ccc(NC(=O)/C=C(/C)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide?
The InChIKey is VAFMTDKLIQTFPO-SQFISAMPSA-N. The full InChI is InChI=1S/C23H20ClFN2O4S/c1-15(17-7-3-5-9-19(17)25)13-23(28)26-16-11-12-21(31-2)22(14-16)32(29,30)27-20-10-6-4-8-18(20)24/h3-14,27H,1-2H3,(H,26,28)/b15-13-.
What are the key properties of (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide?
(Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide has a molecular weight of 474.94 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(2-fluorophenyl)but-2-enamide is sourced from PubChem (CID 60575699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).