N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide

C8H15N3O2S — CID 60916490

IUPACN-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-4-7(2)11(3)14(12,13)8-5-9-10-6-8/h5-7H,4H2,1-3H3,(H,9,10)
InChIKeyMMNHCCCHSWVVBV-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.83
Rot. Bonds4

About N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide

N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 60916490) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID60916490
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O2S/c1-4-7(2)11(3)14(12,13)8-5-9-10-6-8/h5-7H,4H2,1-3H3,(H,9,10)
InChIKeyMMNHCCCHSWVVBV-UHFFFAOYSA-N
XLogP0.83
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide (CID 60916490) is N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide is CCC(C)N(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MMNHCCCHSWVVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-4-7(2)11(3)14(12,13)8-5-9-10-6-8/h5-7H,4H2,1-3H3,(H,9,10).
What are the key properties of N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide?
N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60916490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).