N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide

C8H15N3O3S — CID 102697642

IUPACN-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H15N3O3S/c1-7(14-3)6-10-15(12,13)8-4-5-9-11(8)2/h4-5,7,10H,6H2,1-3H3
InChIKeyVLDFGPSQCROZRO-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.27
Rot. Bonds5

About N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide

N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 102697642) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide
PubChem CID102697642
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC NameN-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C8H15N3O3S/c1-7(14-3)6-10-15(12,13)8-4-5-9-11(8)2/h4-5,7,10H,6H2,1-3H3
InChIKeyVLDFGPSQCROZRO-UHFFFAOYSA-N
XLogP-0.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide (CID 102697642) is N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide is COC(C)CNS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is VLDFGPSQCROZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-7(14-3)6-10-15(12,13)8-4-5-9-11(8)2/h4-5,7,10H,6H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide?
N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 102697642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).