N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide

C11H19N3O2S — CID 54933935

IUPACN-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cn[nH]c2)C1C
InChIInChI=1S/C11H19N3O2S/c1-8-4-3-5-11(9(8)2)14-17(15,16)10-6-12-13-7-10/h6-9,11,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyBUKIUNNADHOFOB-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.51
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide

N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54933935) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide
PubChem CID54933935
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cn[nH]c2)C1C
InChIInChI=1S/C11H19N3O2S/c1-8-4-3-5-11(9(8)2)14-17(15,16)10-6-12-13-7-10/h6-9,11,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyBUKIUNNADHOFOB-UHFFFAOYSA-N
XLogP1.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide (CID 54933935) is N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide is CC1CCCC(NS(=O)(=O)c2cn[nH]c2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BUKIUNNADHOFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-4-3-5-11(9(8)2)14-17(15,16)10-6-12-13-7-10/h6-9,11,14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide?
N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54933935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).