N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide

C8H15N3O2S — CID 61003974

IUPACN-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-2-3-4-14(12,13)11-7-8-5-9-10-6-8/h5-6,11H,2-4,7H2,1H3,(H,9,10)
InChIKeyCGPAMCYWAUPWAQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.63
Rot. Bonds6

About N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide

N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide (PubChem CID 61003974) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
PubChem CID61003974
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-2-3-4-14(12,13)11-7-8-5-9-10-6-8/h5-6,11H,2-4,7H2,1H3,(H,9,10)
InChIKeyCGPAMCYWAUPWAQ-UHFFFAOYSA-N
XLogP0.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide (CID 61003974) is N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide?
The InChIKey is CGPAMCYWAUPWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-3-4-14(12,13)11-7-8-5-9-10-6-8/h5-6,11H,2-4,7H2,1H3,(H,9,10).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide?
N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 61003974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).