N-(4-azidosulfonylphenyl)acetamide

C8H8N4O3S — CID 5129185

IUPACN-(4-azidosulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C8H8N4O3S/c1-6(13)10-7-2-4-8(5-3-7)16(14,15)12-11-9/h2-5H,1H3,(H,10,13)
InChIKeyNTMHWRHEGDRTPD-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.64
Rot. Bonds3

About N-(4-azidosulfonylphenyl)acetamide

N-(4-azidosulfonylphenyl)acetamide (PubChem CID 5129185) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is N-(4-azidosulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-azidosulfonylphenyl)acetamide
PubChem CID5129185
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC NameN-(4-azidosulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C8H8N4O3S/c1-6(13)10-7-2-4-8(5-3-7)16(14,15)12-11-9/h2-5H,1H3,(H,10,13)
InChIKeyNTMHWRHEGDRTPD-UHFFFAOYSA-N
XLogP1.64
TPSA112.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-azidosulfonylphenyl)-2-oxoacetamide
CID 122550572
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide
CID 19931654
(4-acetamidophenyl)sulfonylimino-methylazanium
CID 145222283
1,3-bis(4-azidosulfonylphenyl)propan-2-yl N-(4-azidosulfonylphenyl)carbamate
CID 134273139
N-(4-azidophenyl)acetamide
CID 4315161
N-(2-azidosulfonylphenyl)acetamide
CID 87142558
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-[(triphenyl-λ5-phosphanylidene)amino]sulfonylphenyl]acetamide
CID 139078728

Frequently Asked Questions

What is the IUPAC name of N-(4-azidosulfonylphenyl)acetamide?
The IUPAC name of N-(4-azidosulfonylphenyl)acetamide (CID 5129185) is N-(4-azidosulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-azidosulfonylphenyl)acetamide?
The canonical SMILES for N-(4-azidosulfonylphenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N=[N+]=[N-])cc1.
What is the InChIKey of N-(4-azidosulfonylphenyl)acetamide?
The InChIKey is NTMHWRHEGDRTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c1-6(13)10-7-2-4-8(5-3-7)16(14,15)12-11-9/h2-5H,1H3,(H,10,13).
What are the key properties of N-(4-azidosulfonylphenyl)acetamide?
N-(4-azidosulfonylphenyl)acetamide has a molecular weight of 240.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidosulfonylphenyl)acetamide is sourced from PubChem (CID 5129185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).