N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C8H13N3O3S — CID 47267519

IUPACN-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c12-15(13,8-5-9-10-6-8)11-4-7-2-1-3-14-7/h5-7,11H,1-4H2,(H,9,10)
InChIKeyQWYSQVRRDAFWTE-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.13
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide

N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267519) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267519
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c12-15(13,8-5-9-10-6-8)11-4-7-2-1-3-14-7/h5-7,11H,1-4H2,(H,9,10)
InChIKeyQWYSQVRRDAFWTE-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-4-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 61354854
N-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 103081931
N-[(3S)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 91059253
N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 91089856
1-methyl-N'-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonohydrazide
CID 175942551
1-methyl-N'-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonohydrazide
CID 175942552
N-(2-ethoxyethyl)-1H-pyrazole-4-sulfonamide
CID 47267412
N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47267556
N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47292389
N-(1,4-dioxan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47297037
3-propoxy-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 47350065
N-(2-butoxyethyl)-1H-pyrazole-4-sulfonamide
CID 47350105

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 47267519) is N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1CCCO1)c1cn[nH]c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QWYSQVRRDAFWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c12-15(13,8-5-9-10-6-8)11-4-7-2-1-3-14-7/h5-7,11H,1-4H2,(H,9,10).
What are the key properties of N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
N-(oxolan-2-ylmethyl)-1H-pyrazole-4-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-4-sulfonamide is sourced from PubChem (CID 47267519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).