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

C13H15N3O3S — CID 97428220

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1ccccc1
InChIInChI=1S/C13H15N3O3S/c17-20(18,13-4-2-1-3-5-13)15-11-8-14-16(9-11)12-6-7-19-10-12/h1-5,8-9,12,15H,6-7,10H2/t12-/m0/s1
InChIKeyCKXVINPDBMMUOU-LBPRGKRZSA-N
MW293.35 g/mol
LogP1.65
Rot. Bonds4

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

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide (PubChem CID 97428220) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
PubChem CID97428220
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1ccccc1
InChIInChI=1S/C13H15N3O3S/c17-20(18,13-4-2-1-3-5-13)15-11-8-14-16(9-11)12-6-7-19-10-12/h1-5,8-9,12,15H,6-7,10H2/t12-/m0/s1
InChIKeyCKXVINPDBMMUOU-LBPRGKRZSA-N
XLogP1.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide (CID 97428220) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn([C@H]2CCOC2)c1)c1ccccc1.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
The InChIKey is CKXVINPDBMMUOU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-20(18,13-4-2-1-3-5-13)15-11-8-14-16(9-11)12-6-7-19-10-12/h1-5,8-9,12,15H,6-7,10H2/t12-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.65, 4 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]benzenesulfonamide is sourced from PubChem (CID 97428220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).