N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide

C18H20FNO6S — CID 35327742

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C18H20FNO6S/c1-23-15-10-13(19)18(11-16(15)24-2)27(21,22)20-6-5-12-3-4-14-17(9-12)26-8-7-25-14/h3-4,9-11,20H,5-8H2,1-2H3
InChIKeyPJWPMMMBXRTGBR-UHFFFAOYSA-N
MW397.42 g/mol
LogP2.14
Rot. Bonds7

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide (PubChem CID 35327742) has the molecular formula C18H20FNO6S and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
PubChem CID35327742
Molecular FormulaC18H20FNO6S
Molecular Weight397.42 g/mol
Exact Mass397.10
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C18H20FNO6S/c1-23-15-10-13(19)18(11-16(15)24-2)27(21,22)20-6-5-12-3-4-14-17(9-12)26-8-7-25-14/h3-4,9-11,20H,5-8H2,1-2H3
InChIKeyPJWPMMMBXRTGBR-UHFFFAOYSA-N
XLogP2.14
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide 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-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148827
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160397
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110601258
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
CID 110601266
4-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43008808
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126212164
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38210357
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 24543766
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide (CID 35327742) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide is COc1cc(F)c(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The InChIKey is PJWPMMMBXRTGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO6S/c1-23-15-10-13(19)18(11-16(15)24-2)27(21,22)20-6-5-12-3-4-14-17(9-12)26-8-7-25-14/h3-4,9-11,20H,5-8H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide has a molecular weight of 397.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 35327742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).