N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide

C17H19NO3S — CID 51178749

IUPACN-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO3S/c1-2-18(13-14-6-4-3-5-7-14)22(19,20)16-8-9-17-15(12-16)10-11-21-17/h3-9,12H,2,10-11,13H2,1H3
InChIKeySVCGTHLDWLZAPA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.83
Rot. Bonds5

About N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide

N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 51178749) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID51178749
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H19NO3S/c1-2-18(13-14-6-4-3-5-7-14)22(19,20)16-8-9-17-15(12-16)10-11-21-17/h3-9,12H,2,10-11,13H2,1H3
InChIKeySVCGTHLDWLZAPA-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-ethyl-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938079
N-[(3-chlorophenyl)methyl]-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260167
N-(3-amino-4-phenylbutyl)-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 71146138
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 78793283
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55873119
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 55502979
N-benzyl-N-ethyl-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 110759810
3-[3-[[benzenesulfonyl(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenyl]propanoic acid
CID 18376110

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 51178749) is N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is SVCGTHLDWLZAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-18(13-14-6-4-3-5-7-14)22(19,20)16-8-9-17-15(12-16)10-11-21-17/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 51178749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).