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

C20H16Cl2N2O2S — CID 4255505

IUPAC2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1
InChIInChI=1S/C20H16Cl2N2O2S/c21-15-10-11-16(17(22)12-15)20-23-18-8-4-5-9-19(18)27(25,26)24(20)13-14-6-2-1-3-7-14/h1-12,20,23H,13H2
InChIKeyNFSSHOHMOWQHSU-UHFFFAOYSA-N
MW419.33 g/mol
LogP5.31
Rot. Bonds3

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

2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 4255505) has the molecular formula C20H16Cl2N2O2S and a molecular weight of 419.33 g/mol. Its IUPAC name is 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID4255505
Molecular FormulaC20H16Cl2N2O2S
Molecular Weight419.33 g/mol
Exact Mass418.03
IUPAC Name2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1
InChIInChI=1S/C20H16Cl2N2O2S/c21-15-10-11-16(17(22)12-15)20-23-18-8-4-5-9-19(18)27(25,26)24(20)13-14-6-2-1-3-7-14/h1-12,20,23H,13H2
InChIKeyNFSSHOHMOWQHSU-UHFFFAOYSA-N
XLogP5.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-4-(4-vinylbenzyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 16033718
1'-[2-(4-Chlorophenyl)ethyl]-6,8-difluorospiro[2,4-dihydro-1lambda6,2,4-benzothiadiazine-3,4'-piperidine] 1,1-dioxide
CID 24734886
4-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 22588727
4-(7-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-3-yl)-N,N-dimethylaniline
CID 10991347
4-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 22588722
N-benzyl-2-[(4-chlorophenyl)methylamino]benzenesulfonamide
CID 44601978
2-benzyl-3-(2-fluorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 3567297
2H-1,2,4-Benzothiadiazine, 3-(4-fluorophenyl)-3,4-dihydro-2-(phenylmethyl)-, 1,1-dioxide
CID 3591975
4-(2-chloro-6-fluorobenzyl)-2-(4-fluorophenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 18592048
4-(2-chloro-6-fluorobenzyl)-2-phenyl-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide
CID 22588599
2-benzyl-4-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione
CID 22588732
2-benzyl-3-(3,4-dichlorophenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
CID 4398326

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 4255505) is 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is NFSSHOHMOWQHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2S/c21-15-10-11-16(17(22)12-15)20-23-18-8-4-5-9-19(18)27(25,26)24(20)13-14-6-2-1-3-7-14/h1-12,20,23H,13H2.
What are the key properties of 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide?
2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 419.33 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2,4-dichlorophenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 4255505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).