N-diazo-4-(4-ethylphenoxy)benzenesulfonamide

C14H13N3O3S — CID 91323840

IUPACN-diazo-4-(4-ethylphenoxy)benzenesulfonamide
SMILESCCc1ccc(Oc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C14H13N3O3S/c1-2-11-3-5-12(6-4-11)20-13-7-9-14(10-8-13)21(18,19)17-16-15/h3-10H,2H2,1H3
InChIKeySVPDUFQIZRUIKW-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.04
Rot. Bonds5

About N-diazo-4-(4-ethylphenoxy)benzenesulfonamide

N-diazo-4-(4-ethylphenoxy)benzenesulfonamide (PubChem CID 91323840) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-diazo-4-(4-ethylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-diazo-4-(4-ethylphenoxy)benzenesulfonamide
PubChem CID91323840
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-diazo-4-(4-ethylphenoxy)benzenesulfonamide
SMILESCCc1ccc(Oc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C14H13N3O3S/c1-2-11-3-5-12(6-4-11)20-13-7-9-14(10-8-13)21(18,19)17-16-15/h3-10H,2H2,1H3
InChIKeySVPDUFQIZRUIKW-UHFFFAOYSA-N
XLogP4.04
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-diazo-4-(4-ethylphenoxy)benzenesulfonamide?
The IUPAC name of N-diazo-4-(4-ethylphenoxy)benzenesulfonamide (CID 91323840) is N-diazo-4-(4-ethylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-diazo-4-(4-ethylphenoxy)benzenesulfonamide?
The canonical SMILES for N-diazo-4-(4-ethylphenoxy)benzenesulfonamide is CCc1ccc(Oc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)cc1.
What is the InChIKey of N-diazo-4-(4-ethylphenoxy)benzenesulfonamide?
The InChIKey is SVPDUFQIZRUIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-2-11-3-5-12(6-4-11)20-13-7-9-14(10-8-13)21(18,19)17-16-15/h3-10H,2H2,1H3.
What are the key properties of N-diazo-4-(4-ethylphenoxy)benzenesulfonamide?
N-diazo-4-(4-ethylphenoxy)benzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-4-(4-ethylphenoxy)benzenesulfonamide is sourced from PubChem (CID 91323840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).