(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide

C25H18Cl2N2O4S — CID 126190947

IUPAC(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C25H18Cl2N2O4S/c26-18-13-19(27)15-21(14-18)29-34(31,32)23-10-8-20(9-11-23)28-25(30)24(16-22-7-4-12-33-22)17-5-2-1-3-6-17/h1-16,29H,(H,28,30)/b24-16+
InChIKeyZQKGQFXRZZQCDC-LFVJCYFKSA-N
MW513.40 g/mol
LogP6.57
Rot. Bonds7

About (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide

(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 126190947) has the molecular formula C25H18Cl2N2O4S and a molecular weight of 513.40 g/mol. Its IUPAC name is (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID126190947
Molecular FormulaC25H18Cl2N2O4S
Molecular Weight513.40 g/mol
Exact Mass512.04
IUPAC Name(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C25H18Cl2N2O4S/c26-18-13-19(27)15-21(14-18)29-34(31,32)23-10-8-20(9-11-23)28-25(30)24(16-22-7-4-12-33-22)17-5-2-1-3-6-17/h1-16,29H,(H,28,30)/b24-16+
InChIKeyZQKGQFXRZZQCDC-LFVJCYFKSA-N
XLogP6.57
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.40
LogP ≤ 56.57
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

(E)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 126177677
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 38018309
(E)-N-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 21372266
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 6505286
N-[4-(diethylsulfamoyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1284903
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712
3-(furan-2-yl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 5181707
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
(E)-N-[4-(tert-butylsulfamoyl)phenyl]-2,3-diphenylprop-2-enamide
CID 6523072
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide
CID 126415096

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 126190947) is (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide is O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is ZQKGQFXRZZQCDC-LFVJCYFKSA-N. The full InChI is InChI=1S/C25H18Cl2N2O4S/c26-18-13-19(27)15-21(14-18)29-34(31,32)23-10-8-20(9-11-23)28-25(30)24(16-22-7-4-12-33-22)17-5-2-1-3-6-17/h1-16,29H,(H,28,30)/b24-16+.
What are the key properties of (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 513.40 g/mol, XLogP of 6.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 126190947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).