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

C15H13BrN2O3S — CID 9412994

IUPAC(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrN2O3S/c16-12-7-4-11(5-8-12)6-9-15(19)18-13-2-1-3-14(10-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-6+
InChIKeyCUSHLDSEKALTMZ-RMKNXTFCSA-N
MW381.25 g/mol
LogP2.75
Rot. Bonds4

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

(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide (PubChem CID 9412994) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
PubChem CID9412994
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1
InChIInChI=1S/C15H13BrN2O3S/c16-12-7-4-11(5-8-12)6-9-15(19)18-13-2-1-3-14(10-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-6+
InChIKeyCUSHLDSEKALTMZ-RMKNXTFCSA-N
XLogP2.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
N-(3-acetylphenyl)-3-(4-bromophenyl)prop-2-enamide
CID 896669
(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide
CID 9413066
(E)-3-(4-bromophenyl)-N-(3-ethynylphenyl)prop-2-enamide
CID 24676268
N-(3-sulfamoylphenyl)hexa-2,4-dienamide
CID 60635779
(E)-N-[3-[(4-bromophenyl)sulfamoyl]phenyl]-3-(3-chlorophenyl)prop-2-enamide
CID 6179194
(E)-3-(2-bromophenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072299
(E)-N-(2-aminophenyl)-3-[4-[(3-sulfamoylanilino)methyl]phenyl]prop-2-enamide
CID 20786001

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide (CID 9412994) is (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is CUSHLDSEKALTMZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c16-12-7-4-11(5-8-12)6-9-15(19)18-13-2-1-3-14(10-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-6+.
What are the key properties of (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide has a molecular weight of 381.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9412994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).