N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide

C18H21N3O5S — CID 128968897

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cn1
InChIInChI=1S/C18H21N3O5S/c1-2-21-10-13(9-19-21)17-16(4-3-7-25-17)20-27(23,24)14-6-5-12-11-26-18(22)15(12)8-14/h5-6,8-10,16-17,20H,2-4,7,11H2,1H3/t16-,17+/m0/s1
InChIKeyRHSRMVUXAOGTRM-DLBZAZTESA-N
MW391.45 g/mol
LogP1.77
Rot. Bonds5

About N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide (PubChem CID 128968897) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
PubChem CID128968897
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
SMILESCCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cn1
InChIInChI=1S/C18H21N3O5S/c1-2-21-10-13(9-19-21)17-16(4-3-7-25-17)20-27(23,24)14-6-5-12-11-26-18(22)15(12)8-14/h5-6,8-10,16-17,20H,2-4,7,11H2,1H3/t16-,17+/m0/s1
InChIKeyRHSRMVUXAOGTRM-DLBZAZTESA-N
XLogP1.77
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128996117
(2S)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129330114
3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
CID 129005291
3-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 129005444
3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
CID 128998358
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129005329
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide
CID 166308374
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-methylpyrazole-3-sulfonamide
CID 129003579
2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128997737
2-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-4-fluorobenzenesulfonamide
CID 154753375
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129005271
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide (CID 128968897) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide is CCn1cc([C@H]2OCCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide?
The InChIKey is RHSRMVUXAOGTRM-DLBZAZTESA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-2-21-10-13(9-19-21)17-16(4-3-7-25-17)20-27(23,24)14-6-5-12-11-26-18(22)15(12)8-14/h5-6,8-10,16-17,20H,2-4,7,11H2,1H3/t16-,17+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide has a molecular weight of 391.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide is sourced from PubChem (CID 128968897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).