N-butyl-1H-pyrazole-4-sulfonamide

C7H13N3O2S — CID 47267278

IUPACN-butyl-1H-pyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O2S/c1-2-3-4-10-13(11,12)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyOOUUOPWUNXEPST-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.49
Rot. Bonds5

About N-butyl-1H-pyrazole-4-sulfonamide

N-butyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267278) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-butyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-1H-pyrazole-4-sulfonamide
PubChem CID47267278
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-butyl-1H-pyrazole-4-sulfonamide
SMILESCCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O2S/c1-2-3-4-10-13(11,12)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyOOUUOPWUNXEPST-UHFFFAOYSA-N
XLogP0.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 54594730
1H-pyrazole-4-sulfonyl chloride
CID 22733127
1H-pyrazole-4-sulfonamide
CID 45080579
4-(Methylsulfonyl)-1H-pyrazole
CID 22618510
1H-pyrazole-4-sulfonohydrazide
CID 60917034
1H-pyrazole-4-sulfonyl fluoride
CID 122236175
sodium 1H-pyrazole-4-sulfinate
CID 130538090
1H-Pyrazole-4-sulfonic acid
CID 14986588
1H-pyrazol-2-ium-4-sulfonate
CID 139175172
5-fluoro-1H-pyrazole-4-sulfonamide
CID 69878057
N-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 91046527
4-Thiodiazole-5-sulfonamide
CID 129676401

Frequently Asked Questions

What is the IUPAC name of N-butyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-butyl-1H-pyrazole-4-sulfonamide (CID 47267278) is N-butyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-butyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-butyl-1H-pyrazole-4-sulfonamide is CCCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-butyl-1H-pyrazole-4-sulfonamide?
The InChIKey is OOUUOPWUNXEPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-3-4-10-13(11,12)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9).
What are the key properties of N-butyl-1H-pyrazole-4-sulfonamide?
N-butyl-1H-pyrazole-4-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).