N-diazo-1H-pyrazole-5-sulfonamide

C3H3N5O2S — CID 102693481

IUPACN-diazo-1H-pyrazole-5-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C3H3N5O2S/c4-7-8-11(9,10)3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyFNPVDVCAHLHLJR-UHFFFAOYSA-N
MW173.16 g/mol
LogP0.41
Rot. Bonds2

About N-diazo-1H-pyrazole-5-sulfonamide

N-diazo-1H-pyrazole-5-sulfonamide (PubChem CID 102693481) has the molecular formula C3H3N5O2S and a molecular weight of 173.16 g/mol. Its IUPAC name is N-diazo-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-diazo-1H-pyrazole-5-sulfonamide
PubChem CID102693481
Molecular FormulaC3H3N5O2S
Molecular Weight173.16 g/mol
Exact Mass173.00
IUPAC NameN-diazo-1H-pyrazole-5-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C3H3N5O2S/c4-7-8-11(9,10)3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyFNPVDVCAHLHLJR-UHFFFAOYSA-N
XLogP0.41
TPSA111.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
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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Related Compounds

5-(trifluoromethylsulfonyl)-1H-pyrazole
CID 54057584
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
2,6-dibromo-N-diazobenzenesulfonamide
CID 53381084
3-(1H-pyrazol-5-ylsulfonyl)-1,2-oxazole
CID 174697142
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102691142
2-(2-azidosulfonylphenoxy)-N-diazobenzenesulfonamide
CID 19882754
3-(bromomethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693991

Frequently Asked Questions

What is the IUPAC name of N-diazo-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-diazo-1H-pyrazole-5-sulfonamide (CID 102693481) is N-diazo-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-diazo-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-diazo-1H-pyrazole-5-sulfonamide is [N-]=[N+]=NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-diazo-1H-pyrazole-5-sulfonamide?
The InChIKey is FNPVDVCAHLHLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5O2S/c4-7-8-11(9,10)3-1-2-5-6-3/h1-2H,(H,5,6).
What are the key properties of N-diazo-1H-pyrazole-5-sulfonamide?
N-diazo-1H-pyrazole-5-sulfonamide has a molecular weight of 173.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).