N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C8H13N3O3S — CID 47267556

IUPACN-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c12-15(13,8-4-9-10-5-8)11-3-7-1-2-14-6-7/h4-5,7,11H,1-3,6H2,(H,9,10)
InChIKeyRGJNFEWPJHGZON-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.28
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide

N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267556) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267556
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCOC1)c1cn[nH]c1
InChIInChI=1S/C8H13N3O3S/c12-15(13,8-4-9-10-5-8)11-3-7-1-2-14-6-7/h4-5,7,11H,1-3,6H2,(H,9,10)
InChIKeyRGJNFEWPJHGZON-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(hydroxymethyl)-3-methylbutyl]-1H-pyrazole-4-sulfonamide
CID 164630529
N-[(3S)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 91059253
N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 91089856
N-(cyclobutylmethyl)-1H-pyrazole-4-sulfonamide
CID 47267293
N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 47267369
N-(3-methoxypropyl)-1H-pyrazole-4-sulfonamide
CID 47267370
N-(2-ethoxyethyl)-1H-pyrazole-4-sulfonamide
CID 47267412
N-(oxolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47267519
N-cyclopropyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268243
N-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268290
N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47292389
N-(2-butoxyethyl)-1H-pyrazole-4-sulfonamide
CID 47350105

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 47267556) is N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1CCOC1)c1cn[nH]c1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RGJNFEWPJHGZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c12-15(13,8-4-9-10-5-8)11-3-7-1-2-14-6-7/h4-5,7,11H,1-3,6H2,(H,9,10).
What are the key properties of N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).