(E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide

C15H12BrNO3S — CID 56657994

IUPAC(E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12BrNO3S/c16-13-9-6-12(7-10-13)8-11-15(18)17-21(19,20)14-4-2-1-3-5-14/h1-11H,(H,17,18)/b11-8+
InChIKeyCMXYAKJWSSIKRS-DHZHZOJOSA-N
MW366.24 g/mol
LogP2.97
Rot. Bonds4

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

(E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide (PubChem CID 56657994) has the molecular formula C15H12BrNO3S and a molecular weight of 366.24 g/mol. Its IUPAC name is (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide
PubChem CID56657994
Molecular FormulaC15H12BrNO3S
Molecular Weight366.24 g/mol
Exact Mass364.97
IUPAC Name(E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12BrNO3S/c16-13-9-6-12(7-10-13)8-11-15(18)17-21(19,20)14-4-2-1-3-5-14/h1-11H,(H,17,18)/b11-8+
InChIKeyCMXYAKJWSSIKRS-DHZHZOJOSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide (CID 56657994) is (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide?
The InChIKey is CMXYAKJWSSIKRS-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H12BrNO3S/c16-13-9-6-12(7-10-13)8-11-15(18)17-21(19,20)14-4-2-1-3-5-14/h1-11H,(H,17,18)/b11-8+.
What are the key properties of (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide?
(E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide has a molecular weight of 366.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzenesulfonyl)-3-(4-bromophenyl)prop-2-enamide is sourced from PubChem (CID 56657994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).