N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C19H22N2O4S — CID 100702660

IUPACN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H22N2O4S/c22-26(23,17-3-4-18-15(12-17)7-11-25-18)21-19(14-5-9-24-10-6-14)16-2-1-8-20-13-16/h1-4,8,12-14,19,21H,5-7,9-11H2/t19-/m0/s1
InChIKeyLVZDTDPXVRKFBE-IBGZPJMESA-N
MW374.46 g/mol
LogP2.46
Rot. Bonds5

About N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 100702660) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID100702660
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H22N2O4S/c22-26(23,17-3-4-18-15(12-17)7-11-25-18)21-19(14-5-9-24-10-6-14)16-2-1-8-20-13-16/h1-4,8,12-14,19,21H,5-7,9-11H2/t19-/m0/s1
InChIKeyLVZDTDPXVRKFBE-IBGZPJMESA-N
XLogP2.46
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[(R)-oxan-4-yl(pyridin-3-yl)methyl]sulfamoyl]benzamide
CID 100702775
N-[oxan-4-yl(pyridin-3-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91629864
N-[(2-methylcyclopropyl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 86959959
4-(2-methyl-1,3-oxazol-4-yl)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702726
2-cyano-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]benzenesulfonamide
CID 100702588
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
1-methyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 100702823
N-[cyclopropyl(pyridin-3-yl)methyl]-2-(oxan-4-yl)ethanesulfonamide
CID 128502716
(E)-2-(4-methylphenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]ethenesulfonamide
CID 117055063
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656

Frequently Asked Questions

What is the IUPAC name of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 100702660) is N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(N[C@H](c1cccnc1)C1CCOCC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is LVZDTDPXVRKFBE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-26(23,17-3-4-18-15(12-17)7-11-25-18)21-19(14-5-9-24-10-6-14)16-2-1-8-20-13-16/h1-4,8,12-14,19,21H,5-7,9-11H2/t19-/m0/s1.
What are the key properties of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 100702660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).