N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide

C9H10N4O4S — CID 122550578

IUPACN-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide
SMILESC=C(CO)ONc1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C9H10N4O4S/c1-7(6-14)17-11-8-2-4-9(5-3-8)18(15,16)13-12-10/h2-5,11,14H,1,6H2
InChIKeySSNWWQVZFWUFCY-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.54
Rot. Bonds6

About N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide

N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide (PubChem CID 122550578) has the molecular formula C9H10N4O4S and a molecular weight of 270.27 g/mol. Its IUPAC name is N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide.

Molecular Properties

Compound NameN-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide
PubChem CID122550578
Molecular FormulaC9H10N4O4S
Molecular Weight270.27 g/mol
Exact Mass270.04
IUPAC NameN-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide
SMILESC=C(CO)ONc1ccc(S(=O)(=O)N=[N+]=[N-])cc1
InChIInChI=1S/C9H10N4O4S/c1-7(6-14)17-11-8-2-4-9(5-3-8)18(15,16)13-12-10/h2-5,11,14H,1,6H2
InChIKeySSNWWQVZFWUFCY-UHFFFAOYSA-N
XLogP1.54
TPSA124.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-azidosulfonylphenyl)acetamide
CID 5129185
2-(4-azidosulfonylphenoxy)acetic acid
CID 23039786
N-(4-azidosulfonylphenyl)-2-oxoacetamide
CID 122550572
1,3-bis(4-azidosulfonylphenyl)propan-2-yl N-(4-azidosulfonylphenyl)carbamate
CID 134273139
N-diazo-4-methylbenzenesulfonamide
CID 13661
N-diazo-4-(3-trihydroxysilylpropoxy)benzenesulfonamide
CID 89455528
sodium 4-azidosulfonylbenzoate
CID 24767650
N-diazo-4-(4-ethylphenoxy)benzenesulfonamide
CID 91323840
(2,3,4,5,6-pentafluorophenyl) 4-azidosulfonylbenzoate
CID 77078459
4-cyclohexyl-N-diazobenzenesulfonamide
CID 43286634
5-azidosulfonyl-2-azidosulfonyloxybenzoic acid
CID 88815060
5-azidosulfonyl-2-methoxybenzamide
CID 43286593

Frequently Asked Questions

What is the IUPAC name of N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide?
The IUPAC name of N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide (CID 122550578) is N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide.
What is the SMILES notation for N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide?
The canonical SMILES for N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide is C=C(CO)ONc1ccc(S(=O)(=O)N=[N+]=[N-])cc1.
What is the InChIKey of N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide?
The InChIKey is SSNWWQVZFWUFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S/c1-7(6-14)17-11-8-2-4-9(5-3-8)18(15,16)13-12-10/h2-5,11,14H,1,6H2.
What are the key properties of N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide?
N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide has a molecular weight of 270.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-4-(3-hydroxyprop-1-en-2-yloxyamino)benzenesulfonamide is sourced from PubChem (CID 122550578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).