N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide

C15H23N3O2S — CID 22263501

IUPACN-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])cc1C(C)C
InChIInChI=1S/C15H23N3O2S/c1-9(2)12-7-14(11(5)6)15(8-13(12)10(3)4)21(19,20)18-17-16/h7-11H,1-6H3
InChIKeyOPKZXGDPULRRSF-UHFFFAOYSA-N
MW309.44 g/mol
LogP5.06
Rot. Bonds5

About N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide

N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide (PubChem CID 22263501) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide
PubChem CID22263501
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])cc1C(C)C
InChIInChI=1S/C15H23N3O2S/c1-9(2)12-7-14(11(5)6)15(8-13(12)10(3)4)21(19,20)18-17-16/h7-11H,1-6H3
InChIKeyOPKZXGDPULRRSF-UHFFFAOYSA-N
XLogP5.06
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2,4,5-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide (CID 22263501) is N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])cc1C(C)C.
What is the InChIKey of N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is OPKZXGDPULRRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9(2)12-7-14(11(5)6)15(8-13(12)10(3)4)21(19,20)18-17-16/h7-11H,1-6H3.
What are the key properties of N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide?
N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 309.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-2,4,5-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 22263501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).