(E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide

C15H11BrN2O5S — CID 56668371

IUPAC(E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O5S/c16-12-4-8-14(9-5-12)24(22,23)17-15(19)10-3-11-1-6-13(7-2-11)18(20)21/h1-10H,(H,17,19)/b10-3+
InChIKeyLAANYIYZOBUNNG-XCVCLJGOSA-N
MW411.23 g/mol
LogP2.88
Rot. Bonds5

About (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 56668371) has the molecular formula C15H11BrN2O5S and a molecular weight of 411.23 g/mol. Its IUPAC name is (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide
PubChem CID56668371
Molecular FormulaC15H11BrN2O5S
Molecular Weight411.23 g/mol
Exact Mass409.96
IUPAC Name(E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O5S/c16-12-4-8-14(9-5-12)24(22,23)17-15(19)10-3-11-1-6-13(7-2-11)18(20)21/h1-10H,(H,17,19)/b10-3+
InChIKeyLAANYIYZOBUNNG-XCVCLJGOSA-N
XLogP2.88
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
[2-(4-bromophenyl)-2-oxoethyl] 3-(4-nitrophenyl)prop-2-enoate
CID 4644821
3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 917119
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 54561382
(E)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186907
N-hydroxy-3-[4-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 76694298
(E)-N-(2-bromo-5-nitrophenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 75535485
(E)-3-(4-nitrophenyl)-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 17187106
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 103789272

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide (CID 56668371) is (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is LAANYIYZOBUNNG-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H11BrN2O5S/c16-12-4-8-14(9-5-12)24(22,23)17-15(19)10-3-11-1-6-13(7-2-11)18(20)21/h1-10H,(H,17,19)/b10-3+.
What are the key properties of (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 411.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromophenyl)sulfonyl-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 56668371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).