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

C14H25N3O2S — CID 61248754

IUPACN-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C14H25N3O2S/c1-10-13(9-15-16-10)20(18,19)17-12-8-6-5-7-11(12)14(2,3)4/h9,11-12,17H,5-8H2,1-4H3,(H,15,16)
InChIKeyGXGHATLWTRKYDK-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.60
Rot. Bonds3

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

N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61248754) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61248754
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C14H25N3O2S/c1-10-13(9-15-16-10)20(18,19)17-12-8-6-5-7-11(12)14(2,3)4/h9,11-12,17H,5-8H2,1-4H3,(H,15,16)
InChIKeyGXGHATLWTRKYDK-UHFFFAOYSA-N
XLogP2.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61248754) is N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is GXGHATLWTRKYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10-13(9-15-16-10)20(18,19)17-12-8-6-5-7-11(12)14(2,3)4/h9,11-12,17H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61248754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).