N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C12H21N3O2S — CID 54933024

IUPACN-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C12H21N3O2S/c1-10-12(9-13-15-10)18(16,17)14-8-7-11-5-3-2-4-6-11/h9,11,14H,2-8H2,1H3,(H,13,15)
InChIKeyXIATWFSQJVCJJA-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.97
Rot. Bonds5

About N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54933024) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54933024
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C12H21N3O2S/c1-10-12(9-13-15-10)18(16,17)14-8-7-11-5-3-2-4-6-11/h9,11,14H,2-8H2,1H3,(H,13,15)
InChIKeyXIATWFSQJVCJJA-UHFFFAOYSA-N
XLogP1.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54933024) is N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XIATWFSQJVCJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10-12(9-13-15-10)18(16,17)14-8-7-11-5-3-2-4-6-11/h9,11,14H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54933024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).