N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide

C9H12N4O4S — CID 88636841

IUPACN-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide
SMILESCCCCC(N1C(=O)C=CC1=O)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C9H12N4O4S/c1-2-3-4-9(18(16,17)12-11-10)13-7(14)5-6-8(13)15/h5-6,9H,2-4H2,1H3
InChIKeyGMFMEUZFMQPOGD-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.07
Rot. Bonds6

About N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide

N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide (PubChem CID 88636841) has the molecular formula C9H12N4O4S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide
PubChem CID88636841
Molecular FormulaC9H12N4O4S
Molecular Weight272.29 g/mol
Exact Mass272.06
IUPAC NameN-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide
SMILESCCCCC(N1C(=O)C=CC1=O)S(=O)(=O)N=[N+]=[N-]
InChIInChI=1S/C9H12N4O4S/c1-2-3-4-9(18(16,17)12-11-10)13-7(14)5-6-8(13)15/h5-6,9H,2-4H2,1H3
InChIKeyGMFMEUZFMQPOGD-UHFFFAOYSA-N
XLogP1.07
TPSA120.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.07
H-Bond Donors ≤ 50
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': 'phthalimide', '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-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide (CID 88636841) is N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide is CCCCC(N1C(=O)C=CC1=O)S(=O)(=O)N=[N+]=[N-].
What is the InChIKey of N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide?
The InChIKey is GMFMEUZFMQPOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4S/c1-2-3-4-9(18(16,17)12-11-10)13-7(14)5-6-8(13)15/h5-6,9H,2-4H2,1H3.
What are the key properties of N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide?
N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-1-(2,5-dioxopyrrol-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 88636841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).