2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide

C12H23N3O3S — CID 174164645

IUPAC2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide
SMILESCCCC(C)CCNS(=O)(=O)c1ccnn1COC
InChIInChI=1S/C12H23N3O3S/c1-4-5-11(2)6-9-14-19(16,17)12-7-8-13-15(12)10-18-3/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyGPBPIBUVQJXVDO-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.59
Rot. Bonds9

About 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide

2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide (PubChem CID 174164645) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide
PubChem CID174164645
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide
SMILESCCCC(C)CCNS(=O)(=O)c1ccnn1COC
InChIInChI=1S/C12H23N3O3S/c1-4-5-11(2)6-9-14-19(16,17)12-7-8-13-15(12)10-18-3/h7-8,11,14H,4-6,9-10H2,1-3H3
InChIKeyGPBPIBUVQJXVDO-UHFFFAOYSA-N
XLogP1.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide (CID 174164645) is 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide is CCCC(C)CCNS(=O)(=O)c1ccnn1COC.
What is the InChIKey of 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide?
The InChIKey is GPBPIBUVQJXVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-4-5-11(2)6-9-14-19(16,17)12-7-8-13-15(12)10-18-3/h7-8,11,14H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide?
2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3-methylhexyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 174164645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).