N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide

C8H12N4O2S — CID 102691141

IUPACN-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
SMILESN#CCCCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N4O2S/c9-5-2-1-3-6-11-15(13,14)8-4-7-10-12-8/h4,7,11H,1-3,6H2,(H,10,12)
InChIKeyKOLAISJKHGIVOU-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.38
Rot. Bonds6

About N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide

N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691141) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691141
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
SMILESN#CCCCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N4O2S/c9-5-2-1-3-6-11-15(13,14)8-4-7-10-12-8/h4,7,11H,1-3,6H2,(H,10,12)
InChIKeyKOLAISJKHGIVOU-UHFFFAOYSA-N
XLogP0.38
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
CID 107849067
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-[3-(2-bromoethoxy)propyl]-1H-pyrazole-5-sulfonamide
CID 106304886
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102692369
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
1-N,2-N,3-N-tris(6-cyanohexyl)benzene-1,2,3-trisulfonamide
CID 161168550
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide (CID 102691141) is N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide is N#CCCCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is KOLAISJKHGIVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-5-2-1-3-6-11-15(13,14)8-4-7-10-12-8/h4,7,11H,1-3,6H2,(H,10,12).
What are the key properties of N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide?
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 228.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).