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

C8H15N3O2S — CID 47267373

IUPACN-butyl-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-3-4-5-11(2)14(12,13)8-6-9-10-7-8/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyFNGDMWAWYKIGNJ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.83
Rot. Bonds5

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

N-butyl-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 47267373) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-butyl-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID47267373
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-butyl-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-3-4-5-11(2)14(12,13)8-6-9-10-7-8/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyFNGDMWAWYKIGNJ-UHFFFAOYSA-N
XLogP0.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-butyl-N-methyl-1H-pyrazole-4-sulfonamide (CID 47267373) is N-butyl-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-1H-pyrazole-4-sulfonamide is CCCCN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-butyl-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is FNGDMWAWYKIGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-4-5-11(2)14(12,13)8-6-9-10-7-8/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of N-butyl-N-methyl-1H-pyrazole-4-sulfonamide?
N-butyl-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).