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

C9H15N3O3S — CID 115650610

IUPACN-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)C1CCOC1
InChIInChI=1S/C9H15N3O3S/c1-7(8-2-3-15-6-8)12-16(13,14)9-4-10-11-5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,10,11)
InChIKeyQCBSFBAUVZNMKW-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.11
Rot. Bonds4

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

N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 115650610) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID115650610
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1)C1CCOC1
InChIInChI=1S/C9H15N3O3S/c1-7(8-2-3-15-6-8)12-16(13,14)9-4-10-11-5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,10,11)
InChIKeyQCBSFBAUVZNMKW-UHFFFAOYSA-N
XLogP0.11
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-(1-piperidin-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54937018
3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958508
methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
CID 61275343
3-[1-(sulfamoylamino)ethyl]oxolane
CID 115650630
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 47470284
3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 171675219
4-bromo-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 116528880
N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide
CID 115684208
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000
5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 115685447

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 115650610) is N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QCBSFBAUVZNMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-7(8-2-3-15-6-8)12-16(13,14)9-4-10-11-5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,10,11).
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115650610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).