N-prop-2-enyl-1H-pyrazole-5-sulfonamide

C6H9N3O2S — CID 102690992

IUPACN-prop-2-enyl-1H-pyrazole-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O2S/c1-2-4-8-12(10,11)6-3-5-7-9-6/h2-3,5,8H,1,4H2,(H,7,9)
InChIKeyXBMNJSKNRBNXJN-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.13
Rot. Bonds4

About N-prop-2-enyl-1H-pyrazole-5-sulfonamide

N-prop-2-enyl-1H-pyrazole-5-sulfonamide (PubChem CID 102690992) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-prop-2-enyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-1H-pyrazole-5-sulfonamide
PubChem CID102690992
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-prop-2-enyl-1H-pyrazole-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O2S/c1-2-4-8-12(10,11)6-3-5-7-9-6/h2-3,5,8H,1,4H2,(H,7,9)
InChIKeyXBMNJSKNRBNXJN-UHFFFAOYSA-N
XLogP-0.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
CID 107849067
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106385117
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-(3-methyl-2-oxobutyl)-1H-pyrazole-5-sulfonamide
CID 102691239
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-5-sulfonamide
CID 106245543
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106897420

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-prop-2-enyl-1H-pyrazole-5-sulfonamide (CID 102690992) is N-prop-2-enyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-prop-2-enyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-prop-2-enyl-1H-pyrazole-5-sulfonamide is C=CCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-prop-2-enyl-1H-pyrazole-5-sulfonamide?
The InChIKey is XBMNJSKNRBNXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-4-8-12(10,11)6-3-5-7-9-6/h2-3,5,8H,1,4H2,(H,7,9).
What are the key properties of N-prop-2-enyl-1H-pyrazole-5-sulfonamide?
N-prop-2-enyl-1H-pyrazole-5-sulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).