N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide

C21H20FNO5S2 — CID 132992712

IUPACN-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCOC(CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H20FNO5S2/c1-28-21(19-14-8-9-15-20(19)22)16-23(29(24,25)17-10-4-2-5-11-17)30(26,27)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyGWIKZWXOXMHDLW-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.59
Rot. Bonds8

About N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide (PubChem CID 132992712) has the molecular formula C21H20FNO5S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
PubChem CID132992712
Molecular FormulaC21H20FNO5S2
Molecular Weight449.53 g/mol
Exact Mass449.08
IUPAC NameN-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCOC(CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H20FNO5S2/c1-28-21(19-14-8-9-15-20(19)22)16-23(29(24,25)17-10-4-2-5-11-17)30(26,27)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyGWIKZWXOXMHDLW-UHFFFAOYSA-N
XLogP3.59
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide 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

(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one
CID 102007024
(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 42841653
[(1R)-1-(2-fluorophenyl)-2-sulfamoylethyl] 2-methoxy-2-phenylacetate
CID 71060519
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
[(2R)-2-(benzenesulfonyl)-2-(2-fluorophenyl)ethyl]azanium
CID 9161906
N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207182
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
N-[(2S)-2-hydroxypropyl]-N-propylbenzenesulfonamide
CID 59164206
(2R)-2-(2-fluorophenyl)-2-methoxyacetaldehyde
CID 173342966
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide (CID 132992712) is N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide is COC(CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1F.
What is the InChIKey of N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The InChIKey is GWIKZWXOXMHDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO5S2/c1-28-21(19-14-8-9-15-20(19)22)16-23(29(24,25)17-10-4-2-5-11-17)30(26,27)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[2-(2-fluorophenyl)-2-methoxyethyl]benzenesulfonamide is sourced from PubChem (CID 132992712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).