N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide

C14H17N3O3S — CID 6624918

IUPACN-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O3S/c18-21(19,16-11-13-3-1-10-20-13)14-6-4-12(5-7-14)17-9-2-8-15-17/h2,4-9,13,16H,1,3,10-11H2
InChIKeyFZIWFTIEABHIJG-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.33
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 6624918) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID6624918
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O3S/c18-21(19,16-11-13-3-1-10-20-13)14-6-4-12(5-7-14)17-9-2-8-15-17/h2,4-9,13,16H,1,3,10-11H2
InChIKeyFZIWFTIEABHIJG-UHFFFAOYSA-N
XLogP1.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 6624918) is N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NCC1CCCO1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is FZIWFTIEABHIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-21(19,16-11-13-3-1-10-20-13)14-6-4-12(5-7-14)17-9-2-8-15-17/h2,4-9,13,16H,1,3,10-11H2.
What are the key properties of N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 6624918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).