N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide

C16H14BrCl2N3O3S — CID 92511364

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)N/N=C\c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14BrCl2N3O3S/c1-22(26(24,25)15-8-12(18)6-7-14(15)19)10-16(23)21-20-9-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,21,23)/b20-9-
InChIKeyNMCBMKGAQJLLGW-UKWGHVSLSA-N
MW479.18 g/mol
LogP3.53
Rot. Bonds6

About N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide

N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 92511364) has the molecular formula C16H14BrCl2N3O3S and a molecular weight of 479.18 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID92511364
Molecular FormulaC16H14BrCl2N3O3S
Molecular Weight479.18 g/mol
Exact Mass476.93
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)N/N=C\c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14BrCl2N3O3S/c1-22(26(24,25)15-8-12(18)6-7-14(15)19)10-16(23)21-20-9-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,21,23)/b20-9-
InChIKeyNMCBMKGAQJLLGW-UKWGHVSLSA-N
XLogP3.53
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.18
LogP ≤ 53.53
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-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 92511360
N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 93050526
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 92511368
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 92513101
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92511280
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126126215
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 9174614
N-[(E)-(2-bromophenyl)methylideneamino]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126374062
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4261913
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126128492
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 9317278

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide (CID 92511364) is N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)N/N=C\c1ccccc1Br)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is NMCBMKGAQJLLGW-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H14BrCl2N3O3S/c1-22(26(24,25)15-8-12(18)6-7-14(15)19)10-16(23)21-20-9-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,21,23)/b20-9-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 479.18 g/mol, XLogP of 3.53, 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-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 92511364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).