N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide

C16H16N5O4S- — CID 159711754

IUPACN-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.[N-]=[N+]=[N-]
InChIInChI=1S/C16H16N2O4S.N3/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20;1-3-2/h3-10H,1-2H3,(H,17,19)(H,18,20);/q;-1
InChIKeyMYXSOEXXRAONJC-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide

N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide (PubChem CID 159711754) has the molecular formula C16H16N5O4S- and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
PubChem CID159711754
Molecular FormulaC16H16N5O4S-
Molecular Weight374.40 g/mol
Exact Mass374.09
IUPAC NameN-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
SMILESCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.[N-]=[N+]=[N-]
InChIInChI=1S/C16H16N2O4S.N3/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20;1-3-2/h3-10H,1-2H3,(H,17,19)(H,18,20);/q;-1
InChIKeyMYXSOEXXRAONJC-UHFFFAOYSA-N
XLogP3.30
TPSA151.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide
CID 19931654
N-(4-azidosulfonylphenyl)acetamide
CID 5129185
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
N-[4-(2-fluorophenyl)sulfonylphenyl]acetamide
CID 70364757
N-[4-(4-amino-3-chlorophenyl)sulfonylphenyl]acetamide;iron
CID 70193525
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide?
The IUPAC name of N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide (CID 159711754) is N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide?
The canonical SMILES for N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide is CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.[N-]=[N+]=[N-].
What is the InChIKey of N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide?
The InChIKey is MYXSOEXXRAONJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S.N3/c1-11(19)17-13-3-7-15(8-4-13)23(21,22)16-9-5-14(6-10-16)18-12(2)20;1-3-2/h3-10H,1-2H3,(H,17,19)(H,18,20);/q;-1.
What are the key properties of N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide?
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide has a molecular weight of 374.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide is sourced from PubChem (CID 159711754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).