N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide

C15H19N3O4S — CID 97428277

IUPACN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C15H19N3O4S/c19-23(20,9-8-22-15-4-2-1-3-5-15)17-13-10-16-18(11-13)14-6-7-21-12-14/h1-5,10-11,14,17H,6-9,12H2/t14-/m1/s1
InChIKeyPRDOQNXLZLDJRH-CQSZACIVSA-N
MW337.40 g/mol
LogP1.67
Rot. Bonds7

About N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide

N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide (PubChem CID 97428277) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide
PubChem CID97428277
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C15H19N3O4S/c19-23(20,9-8-22-15-4-2-1-3-5-15)17-13-10-16-18(11-13)14-6-7-21-12-14/h1-5,10-11,14,17H,6-9,12H2/t14-/m1/s1
InChIKeyPRDOQNXLZLDJRH-CQSZACIVSA-N
XLogP1.67
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide?
The IUPAC name of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide (CID 97428277) is N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1.
What is the InChIKey of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide?
The InChIKey is PRDOQNXLZLDJRH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-23(20,9-8-22-15-4-2-1-3-5-15)17-13-10-16-18(11-13)14-6-7-21-12-14/h1-5,10-11,14,17H,6-9,12H2/t14-/m1/s1.
What are the key properties of N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide?
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]-2-phenoxyethanesulfonamide is sourced from PubChem (CID 97428277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).