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

C11H19N3O3S — CID 62088808

IUPACN-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O3S/c1-7-11(8(2)13-12-7)18(15,16)14-9-5-4-6-10(9)17-3/h9-10,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyPLZUPVRAZIQVGF-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.87
Rot. Bonds4

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

N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 62088808) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID62088808
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOC1CCCC1NS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O3S/c1-7-11(8(2)13-12-7)18(15,16)14-9-5-4-6-10(9)17-3/h9-10,14H,4-6H2,1-3H3,(H,12,13)
InChIKeyPLZUPVRAZIQVGF-UHFFFAOYSA-N
XLogP0.87
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 62088808) is N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COC1CCCC1NS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PLZUPVRAZIQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7-11(8(2)13-12-7)18(15,16)14-9-5-4-6-10(9)17-3/h9-10,14H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62088808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).