2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

C20H17FN2O2S — CID 3567297

IUPAC2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2NC(c2ccccc2F)N1Cc1ccccc1
InChIInChI=1S/C20H17FN2O2S/c21-17-11-5-4-10-16(17)20-22-18-12-6-7-13-19(18)26(24,25)23(20)14-15-8-2-1-3-9-15/h1-13,20,22H,14H2
InChIKeyFYQQGKQFGZPPBY-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.14
Rot. Bonds3

About 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide

2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 3567297) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID3567297
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2NC(c2ccccc2F)N1Cc1ccccc1
InChIInChI=1S/C20H17FN2O2S/c21-17-11-5-4-10-16(17)20-22-18-12-6-7-13-19(18)26(24,25)23(20)14-15-8-2-1-3-9-15/h1-13,20,22H,14H2
InChIKeyFYQQGKQFGZPPBY-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide with MolForge

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Related Compounds

1-[(3-Fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
CID 56928663
N-[(2-Fluorophenyl)methyl]-N'-[4-(piperidine-1-sulfonyl)phenyl]urea
CID 66610017
1-[(4-Fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
CID 66610805
1-Benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
CID 66611088
1-[1-(4-Fluoro-benzenesulfonyl)-piperidin-4-yl]-3-p-tolyl-urea
CID 1433021
4-(3-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 2455792
2-(2-ethylphenyl)-4-(2-methylbenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 7185170
2-(4-ethylphenyl)-4-(4-vinylbenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 7470830
N-{2-[4-(4-Fluorophenyl)piperazin-1-YL]-2-phenylethyl}-4-methylbenzene-1-sulfonamide
CID 23604910
N-benzyl-2-(phenethylamino)benzenesulfonamide
CID 44601980
1-[2-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea
CID 137641425
4-[4-[(4-Fluorophenyl)methyl]-1,1-dioxo-1,2,4-thiadiazinan-2-yl]benzenesulfonamide
CID 164611362

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 3567297) is 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)c2ccccc2NC(c2ccccc2F)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is FYQQGKQFGZPPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-17-11-5-4-10-16(17)20-22-18-12-6-7-13-19(18)26(24,25)23(20)14-15-8-2-1-3-9-15/h1-13,20,22H,14H2.
What are the key properties of 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 368.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 3567297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).