N-pentan-3-yl-1H-pyrazole-4-sulfonamide

C8H15N3O2S — CID 47267366

IUPACN-pentan-3-yl-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-10-6-8/h5-7,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyIUMMUMDGFJMWJA-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.88
Rot. Bonds5

About N-pentan-3-yl-1H-pyrazole-4-sulfonamide

N-pentan-3-yl-1H-pyrazole-4-sulfonamide (PubChem CID 47267366) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-pentan-3-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-1H-pyrazole-4-sulfonamide
PubChem CID47267366
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-pentan-3-yl-1H-pyrazole-4-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-10-6-8/h5-7,11H,3-4H2,1-2H3,(H,9,10)
InChIKeyIUMMUMDGFJMWJA-UHFFFAOYSA-N
XLogP0.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
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
cesium 1H-pyrazole-4-sulfonate
CID 139176340
azanium 1H-pyrazole-4-sulfonate
CID 139196171

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-pentan-3-yl-1H-pyrazole-4-sulfonamide (CID 47267366) is N-pentan-3-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-pentan-3-yl-1H-pyrazole-4-sulfonamide is CCC(CC)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is IUMMUMDGFJMWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-7(4-2)11-14(12,13)8-5-9-10-6-8/h5-7,11H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-pentan-3-yl-1H-pyrazole-4-sulfonamide?
N-pentan-3-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).