N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H19N3O4S — CID 129005271

IUPACN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C16H19N3O4S/c1-19-10-12(9-17-19)16-14(5-7-23-16)18-24(20,21)13-2-3-15-11(8-13)4-6-22-15/h2-3,8-10,14,16,18H,4-7H2,1H3/t14-,16+/m0/s1
InChIKeyDHRYNHIMFWROPZ-GOEBONIOSA-N
MW349.41 g/mol
LogP1.16
Rot. Bonds4

About N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 129005271) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID129005271
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C16H19N3O4S/c1-19-10-12(9-17-19)16-14(5-7-23-16)18-24(20,21)13-2-3-15-11(8-13)4-6-22-15/h2-3,8-10,14,16,18H,4-7H2,1H3/t14-,16+/m0/s1
InChIKeyDHRYNHIMFWROPZ-GOEBONIOSA-N
XLogP1.16
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128997737
6-chloro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 129005358
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide
CID 128992375
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
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
N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126857791
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43389822
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
CID 128968897
3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]sulfamoyl]benzamide
CID 128998358
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122274715
3-chloro-4-cyano-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]benzenesulfonamide
CID 129005291

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 129005271) is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2ccc3c(c2)CCO3)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is DHRYNHIMFWROPZ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-19-10-12(9-17-19)16-14(5-7-23-16)18-24(20,21)13-2-3-15-11(8-13)4-6-22-15/h2-3,8-10,14,16,18H,4-7H2,1H3/t14-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 129005271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).