N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide

C17H16N4O6S2 — CID 19931654

IUPACN-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H16N4O6S2/c1-11(22)19-13-3-7-15(8-4-13)28(24,25)17(21-18)29(26,27)16-9-5-14(6-10-16)20-12(2)23/h3-10H,1-2H3,(H,19,22)(H,20,23)
InChIKeyZNDMCWWMIWOMCF-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.44
Rot. Bonds4

About N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide

N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide (PubChem CID 19931654) has the molecular formula C17H16N4O6S2 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide
PubChem CID19931654
Molecular FormulaC17H16N4O6S2
Molecular Weight436.47 g/mol
Exact Mass436.05
IUPAC NameN-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H16N4O6S2/c1-11(22)19-13-3-7-15(8-4-13)28(24,25)17(21-18)29(26,27)16-9-5-14(6-10-16)20-12(2)23/h3-10H,1-2H3,(H,19,22)(H,20,23)
InChIKeyZNDMCWWMIWOMCF-UHFFFAOYSA-N
XLogP1.44
TPSA162.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-(4-azidosulfonylphenyl)acetamide
CID 5129185
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
[4-[tert-butylsulfonyl(diazo)methyl]sulfonylphenyl] acetate
CID 22460349
N-(4-azidophenyl)acetamide
CID 4315161
(4-acetamidophenyl)sulfonylimino-methylazanium
CID 145222283
ethyl 4-acetamidobenzenesulfonate
CID 91726392

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide (CID 19931654) is N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide?
The InChIKey is ZNDMCWWMIWOMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O6S2/c1-11(22)19-13-3-7-15(8-4-13)28(24,25)17(21-18)29(26,27)16-9-5-14(6-10-16)20-12(2)23/h3-10H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide?
N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide has a molecular weight of 436.47 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide is sourced from PubChem (CID 19931654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).