2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide

C12H23N3O2S — CID 102913055

IUPAC2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccnn1C)C(C)C
InChIInChI=1S/C12H23N3O2S/c1-9(2)11(10(3)4)8-14-18(16,17)12-6-7-13-15(12)5/h6-7,9-11,14H,8H2,1-5H3
InChIKeyIJJDFUHYXXGZFW-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.63
Rot. Bonds6

About 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide

2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide (PubChem CID 102913055) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide
PubChem CID102913055
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccnn1C)C(C)C
InChIInChI=1S/C12H23N3O2S/c1-9(2)11(10(3)4)8-14-18(16,17)12-6-7-13-15(12)5/h6-7,9-11,14H,8H2,1-5H3
InChIKeyIJJDFUHYXXGZFW-UHFFFAOYSA-N
XLogP1.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide (CID 102913055) is 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide is CC(C)C(CNS(=O)(=O)c1ccnn1C)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide?
The InChIKey is IJJDFUHYXXGZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-9(2)11(10(3)4)8-14-18(16,17)12-6-7-13-15(12)5/h6-7,9-11,14H,8H2,1-5H3.
What are the key properties of 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide?
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 102913055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).