N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide

C18H23N3O3S2 — CID 127639508

IUPACN-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1SC1CCCC1)c1cnn(C2CCOC2)c1
InChIInChI=1S/C18H23N3O3S2/c22-26(23,16-11-19-21(12-16)14-9-10-24-13-14)20-17-7-3-4-8-18(17)25-15-5-1-2-6-15/h3-4,7-8,11-12,14-15,20H,1-2,5-6,9-10,13H2
InChIKeyNXMBQNKGKZENSX-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.68
Rot. Bonds6

About N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide

N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 127639508) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID127639508
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1SC1CCCC1)c1cnn(C2CCOC2)c1
InChIInChI=1S/C18H23N3O3S2/c22-26(23,16-11-19-21(12-16)14-9-10-24-13-14)20-17-7-3-4-8-18(17)25-15-5-1-2-6-15/h3-4,7-8,11-12,14-15,20H,1-2,5-6,9-10,13H2
InChIKeyNXMBQNKGKZENSX-UHFFFAOYSA-N
XLogP3.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide (CID 127639508) is N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide is O=S(=O)(Nc1ccccc1SC1CCCC1)c1cnn(C2CCOC2)c1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is NXMBQNKGKZENSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c22-26(23,16-11-19-21(12-16)14-9-10-24-13-14)20-17-7-3-4-8-18(17)25-15-5-1-2-6-15/h3-4,7-8,11-12,14-15,20H,1-2,5-6,9-10,13H2.
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 393.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 127639508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).