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

C16H16BrN3O4S — CID 136918340

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1ccc(O)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3O4S/c1-20(25(23,24)15-8-4-13(17)5-9-15)11-16(22)19-18-10-12-2-6-14(21)7-3-12/h2-10,21H,11H2,1H3,(H,19,22)/b18-10-
InChIKeyBHMYHVORXLBKDJ-ZDLGFXPLSA-N
MW426.29 g/mol
LogP1.93
Rot. Bonds6

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

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136918340) has the molecular formula C16H16BrN3O4S and a molecular weight of 426.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136918340
Molecular FormulaC16H16BrN3O4S
Molecular Weight426.29 g/mol
Exact Mass425.00
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1ccc(O)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3O4S/c1-20(25(23,24)15-8-4-13(17)5-9-15)11-16(22)19-18-10-12-2-6-14(21)7-3-12/h2-10,21H,11H2,1H3,(H,19,22)/b18-10-
InChIKeyBHMYHVORXLBKDJ-ZDLGFXPLSA-N
XLogP1.93
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135965808
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92511275
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 92511293
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135580382
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 92511401
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 84932337
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
N-[(E)-(4-bromophenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 92929443
methyl 4-[(Z)-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoate
CID 92513082
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 4200669

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 136918340) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide is CN(CC(=O)N/N=C\c1ccc(O)cc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is BHMYHVORXLBKDJ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H16BrN3O4S/c1-20(25(23,24)15-8-4-13(17)5-9-15)11-16(22)19-18-10-12-2-6-14(21)7-3-12/h2-10,21H,11H2,1H3,(H,19,22)/b18-10-.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 426.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136918340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).