3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide

C19H13BrCl2N2O4S — CID 4291160

IUPAC3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C19H13BrCl2N2O4S/c20-18-9-5-14(28-18)6-10-19(25)23-17-11-15(7-8-16(17)22)29(26,27)24-13-3-1-12(21)2-4-13/h1-11,24H,(H,23,25)
InChIKeyQEFUHWGZELGJMJ-UHFFFAOYSA-N
MW516.20 g/mol
LogP5.80
Rot. Bonds6

About 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide

3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 4291160) has the molecular formula C19H13BrCl2N2O4S and a molecular weight of 516.20 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID4291160
Molecular FormulaC19H13BrCl2N2O4S
Molecular Weight516.20 g/mol
Exact Mass513.92
IUPAC Name3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C19H13BrCl2N2O4S/c20-18-9-5-14(28-18)6-10-19(25)23-17-11-15(7-8-16(17)22)29(26,27)24-13-3-1-12(21)2-4-13/h1-11,24H,(H,23,25)
InChIKeyQEFUHWGZELGJMJ-UHFFFAOYSA-N
XLogP5.80
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.20
LogP ≤ 55.80
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)-3-(5-bromofuran-2-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 2666173
N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 3548859
(E)-3-(5-bromofuran-2-yl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2309603
(E)-3-(5-bromofuran-2-yl)-N-(4-ethylsulfonylphenyl)prop-2-enamide
CID 46693671
(E)-3-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 26582535
3-(5-bromofuran-2-yl)-N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 47093671
(E)-N-(2,5-dichlorophenyl)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enamide
CID 92671353
(E)-3-(5-bromofuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 2319129
3-(5-bromofuran-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)prop-2-enamide
CID 4811542
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide
CID 26711709

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide (CID 4291160) is 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide is O=C(C=Cc1ccc(Br)o1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is QEFUHWGZELGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrCl2N2O4S/c20-18-9-5-14(28-18)6-10-19(25)23-17-11-15(7-8-16(17)22)29(26,27)24-13-3-1-12(21)2-4-13/h1-11,24H,(H,23,25).
What are the key properties of 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide?
3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 516.20 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 4291160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).