N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide

C12H21N3O2S — CID 47387575

IUPACN-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H21N3O2S/c1-2-3-10-4-6-11(7-5-10)15-18(16,17)12-8-13-14-9-12/h8-11,15H,2-7H2,1H3,(H,13,14)
InChIKeyCJTFFBORZINUOE-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.05
Rot. Bonds5

About N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide

N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47387575) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide
PubChem CID47387575
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H21N3O2S/c1-2-3-10-4-6-11(7-5-10)15-18(16,17)12-8-13-14-9-12/h8-11,15H,2-7H2,1H3,(H,13,14)
InChIKeyCJTFFBORZINUOE-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide (CID 47387575) is N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide is CCCC1CCC(NS(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CJTFFBORZINUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-3-10-4-6-11(7-5-10)15-18(16,17)12-8-13-14-9-12/h8-11,15H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide?
N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcyclohexyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47387575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).