N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide

C11H19N3O3S — CID 97428228

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C11H19N3O3S/c1-2-3-6-18(15,16)13-10-7-12-14(8-10)11-4-5-17-9-11/h7-8,11,13H,2-6,9H2,1H3/t11-/m0/s1
InChIKeyAZOMECZRUITDFG-NSHDSACASA-N
MW273.36 g/mol
LogP1.39
Rot. Bonds6

About N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide (PubChem CID 97428228) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide
PubChem CID97428228
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C11H19N3O3S/c1-2-3-6-18(15,16)13-10-7-12-14(8-10)11-4-5-17-9-11/h7-8,11,13H,2-6,9H2,1H3/t11-/m0/s1
InChIKeyAZOMECZRUITDFG-NSHDSACASA-N
XLogP1.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide
CID 97428277
N-[1-(oxolan-3-yl)pyrazol-4-yl]-2-phenoxyethanesulfonamide
CID 72719688
N-[1-(oxan-4-yl)pyrazol-4-yl]methanesulfonamide
CID 71810286
1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719654
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
CID 97428021
4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
3-chloro-4-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428238

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide (CID 97428228) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide?
The InChIKey is AZOMECZRUITDFG-NSHDSACASA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-2-3-6-18(15,16)13-10-7-12-14(8-10)11-4-5-17-9-11/h7-8,11,13H,2-6,9H2,1H3/t11-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 97428228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).