N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide

C17H19NO5S — CID 110751818

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2COc3ccccc32)c(OC)c1
InChIInChI=1S/C17H19NO5S/c1-21-13-7-8-17(16(9-13)22-2)24(19,20)18-10-12-11-23-15-6-4-3-5-14(12)15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyLMLVYGWYGPOHEL-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.16
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 110751818) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID110751818
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2COc3ccccc32)c(OC)c1
InChIInChI=1S/C17H19NO5S/c1-21-13-7-8-17(16(9-13)22-2)24(19,20)18-10-12-11-23-15-6-4-3-5-14(12)15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyLMLVYGWYGPOHEL-UHFFFAOYSA-N
XLogP2.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 51169117
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404413
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide
CID 110751853
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 126795649
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
1-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753180
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide (CID 110751818) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2COc3ccccc32)c(OC)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is LMLVYGWYGPOHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-21-13-7-8-17(16(9-13)22-2)24(19,20)18-10-12-11-23-15-6-4-3-5-14(12)15/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110751818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).