N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide

C7H11N3O3S — CID 91089856

IUPACN-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCOC1)c1cn[nH]c1
InChIInChI=1S/C7H11N3O3S/c11-14(12,7-3-8-9-4-7)10-6-1-2-13-5-6/h3-4,6,10H,1-2,5H2,(H,8,9)/t6-/m1/s1
InChIKeyKFZOBBGCYOXYFB-ZCFIWIBFSA-N
MW217.25 g/mol
LogP-0.52
Rot. Bonds3

About N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide

N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 91089856) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
PubChem CID91089856
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC NameN-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCOC1)c1cn[nH]c1
InChIInChI=1S/C7H11N3O3S/c11-14(12,7-3-8-9-4-7)10-6-1-2-13-5-6/h3-4,6,10H,1-2,5H2,(H,8,9)/t6-/m1/s1
InChIKeyKFZOBBGCYOXYFB-ZCFIWIBFSA-N
XLogP-0.52
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide (CID 91089856) is N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide is O=S(=O)(N[C@@H]1CCOC1)c1cn[nH]c1.
What is the InChIKey of N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is KFZOBBGCYOXYFB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O3S/c11-14(12,7-3-8-9-4-7)10-6-1-2-13-5-6/h3-4,6,10H,1-2,5H2,(H,8,9)/t6-/m1/s1.
What are the key properties of N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide?
N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxolan-3-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 91089856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).