6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide

C9H12ClN3O5S2 — CID 59748949

IUPAC6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCN(CCO)S2(=O)=O
InChIInChI=1S/C9H12ClN3O5S2/c10-6-3-7-9(4-8(6)19(11,15)16)20(17,18)13(1-2-14)5-12-7/h3-4,12,14H,1-2,5H2,(H2,11,15,16)
InChIKeyNVAAEZDYWYDXLU-UHFFFAOYSA-N
MW341.80 g/mol
LogP-0.65
Rot. Bonds3

About 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide

6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 59748949) has the molecular formula C9H12ClN3O5S2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID59748949
Molecular FormulaC9H12ClN3O5S2
Molecular Weight341.80 g/mol
Exact Mass340.99
IUPAC Name6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESNS(=O)(=O)c1cc2c(cc1Cl)NCN(CCO)S2(=O)=O
InChIInChI=1S/C9H12ClN3O5S2/c10-6-3-7-9(4-8(6)19(11,15)16)20(17,18)13(1-2-14)5-12-7/h3-4,12,14H,1-2,5H2,(H2,11,15,16)
InChIKeyNVAAEZDYWYDXLU-UHFFFAOYSA-N
XLogP-0.65
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide with MolForge

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Related Compounds

6-chloro-2-(3-hydroxy-2-oxopropyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 143284970
6-chloro-1,1-dioxo-2-(2-phenylethyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 160506826
[(2S)-1-(6-chloro-1,1-dioxo-7-sulfamoyl-3,4-dihydro-1λ6,2,4-benzothiadiazin-2-yl)-3-nitrooxypropan-2-yl] nitrate;[(2R)-1-(6-chloro-1,1-dioxo-7-sulfamoyl-3,4-dihydro-1λ6,2,4-benzothiadiazin-2-yl)-3-nitrooxypropan-2-yl] nitrate
CID 157126921
methyl (3R)-6-chloro-2-methyl-1,1-dioxo-7-sulfamoyl-3,4-dihydro-1λ6,2,4-benzothiadiazine-3-carboxylate
CID 76961747
[3-[(6-methyl-1,1-dioxo-7-sulfamoyl-3,4-dihydro-1λ6,2,4-benzothiadiazin-2-yl)methoxy]-5-(nitrooxymethyl)phenyl]methyl nitrate
CID 59748926
6-chloro-3-(5-hydroxypentyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 59748918
[3-[(6-methyl-1,1-dioxo-7-sulfamoyl-3,4-dihydro-1λ6,2,4-benzothiadiazin-2-yl)methyl]phenyl]methyl nitrate
CID 59748894
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 24848078
6-chloro-2-prop-2-enyl-3,4-dihydro-1,2,4-benzothiadiazine-7-sulfonamide
CID 91602655
6-chloro-4-nitroso-1,1-dioxo-2,3-dihydro-1λ6,2,4-benzothiadiazine-7-(15N)sulfonamide
CID 171379696
(3S)-3-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 98047042
3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 2910

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 59748949) is 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is NS(=O)(=O)c1cc2c(cc1Cl)NCN(CCO)S2(=O)=O.
What is the InChIKey of 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is NVAAEZDYWYDXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O5S2/c10-6-3-7-9(4-8(6)19(11,15)16)20(17,18)13(1-2-14)5-12-7/h3-4,12,14H,1-2,5H2,(H2,11,15,16).
What are the key properties of 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide?
6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 341.80 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-hydroxyethyl)-1,1-dioxo-3,4-dihydro-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 59748949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).