N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide

C12H21N3O2S — CID 54930247

IUPACN-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C12H21N3O2S/c1-10-12(9-13-14-10)18(16,17)15-11-7-5-3-2-4-6-8-11/h9,11,15H,2-8H2,1H3,(H,13,14)
InChIKeyULWKHECPPKVBBA-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.11
Rot. Bonds3

About N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide

N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54930247) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54930247
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C12H21N3O2S/c1-10-12(9-13-14-10)18(16,17)15-11-7-5-3-2-4-6-8-11/h9,11,15H,2-8H2,1H3,(H,13,14)
InChIKeyULWKHECPPKVBBA-UHFFFAOYSA-N
XLogP2.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide (CID 54930247) is N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ULWKHECPPKVBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10-12(9-13-14-10)18(16,17)15-11-7-5-3-2-4-6-8-11/h9,11,15H,2-8H2,1H3,(H,13,14).
What are the key properties of N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide?
N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54930247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).