N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide

C8H13N3O3S — CID 102691594

IUPACN-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccn[nH]1
InChIInChI=1S/C8H13N3O3S/c12-15(13,8-3-4-9-11-8)10-6-7-2-1-5-14-7/h3-4,7,10H,1-2,5-6H2,(H,9,11)
InChIKeyYYUJKUQFQNIYDK-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.13
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide

N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691594) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691594
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccn[nH]1
InChIInChI=1S/C8H13N3O3S/c12-15(13,8-3-4-9-11-8)10-6-7-2-1-5-14-7/h3-4,7,10H,1-2,5-6H2,(H,9,11)
InChIKeyYYUJKUQFQNIYDK-UHFFFAOYSA-N
XLogP-0.13
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 102691594) is N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCC1CCCO1)c1ccn[nH]1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is YYUJKUQFQNIYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c12-15(13,8-3-4-9-11-8)10-6-7-2-1-5-14-7/h3-4,7,10H,1-2,5-6H2,(H,9,11).
What are the key properties of N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).