N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide

C15H14BrN3O3S — CID 44592134

IUPACN-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H14BrN3O3S/c16-13-6-8-14(9-7-13)23(21,22)18-11-15(20)19-17-10-12-4-2-1-3-5-12/h1-10,18H,11H2,(H,19,20)/b17-10+
InChIKeyPNDPHJDHLZVAON-LICLKQGHSA-N
MW396.27 g/mol
LogP1.88
Rot. Bonds6

About N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide

N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide (PubChem CID 44592134) has the molecular formula C15H14BrN3O3S and a molecular weight of 396.27 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide
PubChem CID44592134
Molecular FormulaC15H14BrN3O3S
Molecular Weight396.27 g/mol
Exact Mass394.99
IUPAC NameN-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H14BrN3O3S/c16-13-6-8-14(9-7-13)23(21,22)18-11-15(20)19-17-10-12-4-2-1-3-5-12/h1-10,18H,11H2,(H,19,20)/b17-10+
InChIKeyPNDPHJDHLZVAON-LICLKQGHSA-N
XLogP1.88
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide (CID 44592134) is N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide?
The InChIKey is PNDPHJDHLZVAON-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14BrN3O3S/c16-13-6-8-14(9-7-13)23(21,22)18-11-15(20)19-17-10-12-4-2-1-3-5-12/h1-10,18H,11H2,(H,19,20)/b17-10+.
What are the key properties of N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide?
N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide has a molecular weight of 396.27 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-[(4-bromophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 44592134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).