N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H23N3O2S — CID 43237057

IUPACN-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H23N3O2S/c1-8-6-5-7-12(9(8)2)16-19(17,18)13-10(3)14-15-11(13)4/h8-9,12,16H,5-7H2,1-4H3,(H,14,15)
InChIKeyFKWKFYDMIZSGNC-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.13
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43237057) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43237057
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H23N3O2S/c1-8-6-5-7-12(9(8)2)16-19(17,18)13-10(3)14-15-11(13)4/h8-9,12,16H,5-7H2,1-4H3,(H,14,15)
InChIKeyFKWKFYDMIZSGNC-UHFFFAOYSA-N
XLogP2.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.13
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)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 43237057) is N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is FKWKFYDMIZSGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-8-6-5-7-12(9(8)2)16-19(17,18)13-10(3)14-15-11(13)4/h8-9,12,16H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.13, 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)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43237057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).