N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C16H18N2O3S — CID 47084792

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O3S/c1-18(10-6-13-4-8-17-9-5-13)22(19,20)15-2-3-16-14(12-15)7-11-21-16/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyFRQGRIATKOJKBZ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.88
Rot. Bonds5

About N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 47084792) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID47084792
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O3S/c1-18(10-6-13-4-8-17-9-5-13)22(19,20)15-2-3-16-14(12-15)7-11-21-16/h2-5,8-9,12H,6-7,10-11H2,1H3
InChIKeyFRQGRIATKOJKBZ-UHFFFAOYSA-N
XLogP1.88
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 62688441
4-acetyl-N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 110648531
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759653
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 78793283
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 79701893
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
CID 110760413
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 47084792) is N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CN(CCc1ccncc1)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is FRQGRIATKOJKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-18(10-6-13-4-8-17-9-5-13)22(19,20)15-2-3-16-14(12-15)7-11-21-16/h2-5,8-9,12H,6-7,10-11H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 47084792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).