N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide

C20H18N2O3S — CID 141169120

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc2c(c1)CCO2)c1cccnc1
InChIInChI=1S/C20H18N2O3S/c23-26(24,19-6-2-1-3-7-19)22(18-5-4-11-21-14-18)15-16-8-9-20-17(13-16)10-12-25-20/h1-9,11,13-14H,10,12,15H2
InChIKeyJCOWZZKIYJFKRW-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.41
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 141169120) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide
PubChem CID141169120
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc2c(c1)CCO2)c1cccnc1
InChIInChI=1S/C20H18N2O3S/c23-26(24,19-6-2-1-3-7-19)22(18-5-4-11-21-14-18)15-16-8-9-20-17(13-16)10-12-25-20/h1-9,11,13-14H,10,12,15H2
InChIKeyJCOWZZKIYJFKRW-UHFFFAOYSA-N
XLogP3.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[benzenesulfonyl(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenyl]propanoic acid
CID 18376110
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-pyridin-3-ylsulfonylpiperazine
CID 55627540
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360936
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110360457
3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-diphenylpropanamide
CID 154932181
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 56810771
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-(1,3-benzodioxol-5-yl)-5-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 166214643
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 130431441

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide (CID 141169120) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc2c(c1)CCO2)c1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is JCOWZZKIYJFKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-26(24,19-6-2-1-3-7-19)22(18-5-4-11-21-14-18)15-16-8-9-20-17(13-16)10-12-25-20/h1-9,11,13-14H,10,12,15H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 141169120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).