N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H21NO5S — CID 46807478

IUPACN-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H21NO5S/c1-3-22-14-5-7-18(23-4-2)16(12-14)19-25(20,21)15-6-8-17-13(11-15)9-10-24-17/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyNMVZBPHPRDPHBI-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.22
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 46807478) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID46807478
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C18H21NO5S/c1-3-22-14-5-7-18(23-4-2)16(12-14)19-25(20,21)15-6-8-17-13(11-15)9-10-24-17/h5-8,11-12,19H,3-4,9-10H2,1-2H3
InChIKeyNMVZBPHPRDPHBI-UHFFFAOYSA-N
XLogP3.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15996803
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55362628
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104621139
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 90558084
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110344403
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911711
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 46807478) is N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is NMVZBPHPRDPHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-3-22-14-5-7-18(23-4-2)16(12-14)19-25(20,21)15-6-8-17-13(11-15)9-10-24-17/h5-8,11-12,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 46807478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).