N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide

C8H15N3O2S — CID 63821534

IUPACN-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C8H15N3O2S/c1-3-4-5-14(12,13)11-8-6-7(2)9-10-8/h6H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyWAGSBZYCVCMPIQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.26
Rot. Bonds5

About N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide

N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide (PubChem CID 63821534) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
PubChem CID63821534
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C8H15N3O2S/c1-3-4-5-14(12,13)11-8-6-7(2)9-10-8/h6H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyWAGSBZYCVCMPIQ-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide (CID 63821534) is N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
The InChIKey is WAGSBZYCVCMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-4-5-14(12,13)11-8-6-7(2)9-10-8/h6H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 63821534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).