N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C16H15BrFN3O3S — CID 92511368

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)N/N=C\c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFN3O3S/c1-21(25(23,24)14-8-6-13(18)7-9-14)11-16(22)20-19-10-12-4-2-3-5-15(12)17/h2-10H,11H2,1H3,(H,20,22)/b19-10-
InChIKeyGXUUEXKKTXBUJW-GRSHGNNSSA-N
MW428.28 g/mol
LogP2.36
Rot. Bonds6

About N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 92511368) has the molecular formula C16H15BrFN3O3S and a molecular weight of 428.28 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID92511368
Molecular FormulaC16H15BrFN3O3S
Molecular Weight428.28 g/mol
Exact Mass427.00
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)N/N=C\c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFN3O3S/c1-21(25(23,24)14-8-6-13(18)7-9-14)11-16(22)20-19-10-12-4-2-3-5-15(12)17/h2-10H,11H2,1H3,(H,20,22)/b19-10-
InChIKeyGXUUEXKKTXBUJW-GRSHGNNSSA-N
XLogP2.36
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
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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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 92513101
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 92511378
N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 93050526
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 92511364
N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 55351543
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 9174614
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135679438
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 92511368) is N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)N/N=C\c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is GXUUEXKKTXBUJW-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H15BrFN3O3S/c1-21(25(23,24)14-8-6-13(18)7-9-14)11-16(22)20-19-10-12-4-2-3-5-15(12)17/h2-10H,11H2,1H3,(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 428.28 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 92511368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).