6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride

C13H20Cl2N4O4S2 — CID 23337796

IUPAC6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride
SMILESCNC1CCC2(CC1)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(=O)(=O)N2.Cl
InChIInChI=1S/C13H19ClN4O4S2.ClH/c1-16-8-2-4-13(5-3-8)17-10-6-9(14)11(23(15,19)20)7-12(10)24(21,22)18-13;/h6-8,16-18H,2-5H2,1H3,(H2,15,19,20);1H
InChIKeyMZPCYVGWXNQESI-UHFFFAOYSA-N
MW431.37 g/mol
LogP0.97
Rot. Bonds2

About 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride

6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride (PubChem CID 23337796) has the molecular formula C13H20Cl2N4O4S2 and a molecular weight of 431.37 g/mol. Its IUPAC name is 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride
PubChem CID23337796
Molecular FormulaC13H20Cl2N4O4S2
Molecular Weight431.37 g/mol
Exact Mass430.03
IUPAC Name6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride
SMILESCNC1CCC2(CC1)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(=O)(=O)N2.Cl
InChIInChI=1S/C13H19ClN4O4S2.ClH/c1-16-8-2-4-13(5-3-8)17-10-6-9(14)11(23(15,19)20)7-12(10)24(21,22)18-13;/h6-8,16-18H,2-5H2,1H3,(H2,15,19,20);1H
InChIKeyMZPCYVGWXNQESI-UHFFFAOYSA-N
XLogP0.97
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride with MolForge

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Related Compounds

6-chloro-3-(methylaminomethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 14654570
methyl (3R)-6-chloro-2-methyl-1,1-dioxo-7-sulfamoyl-3,4-dihydro-1λ6,2,4-benzothiadiazine-3-carboxylate
CID 76961747
6-chloro-1,1-dioxo-3-pentyl-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 101195556
3-(4-bromophenyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 4534537
6-chloro-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 91576307
(3R)-6-chloro-3-[(2R,3S)-3-methylpentan-2-yl]-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 76970726
(3R)-6-chloro-3-(3,4-dichlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
CID 2345714
(3S)-6-chloro-1,1-dioxo-3-[(1R)-1-phenylethyl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 76960355
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
(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
2-(6-chloro-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,4'-cyclohexane]-1'-yl)-N,N-dimethylethanamine
CID 23337790
6-chloro-3-(5-hydroxypentyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
CID 59748918

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride?
The IUPAC name of 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride (CID 23337796) is 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride.
What is the SMILES notation for 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride?
The canonical SMILES for 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride is CNC1CCC2(CC1)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(=O)(=O)N2.Cl.
What is the InChIKey of 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride?
The InChIKey is MZPCYVGWXNQESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O4S2.ClH/c1-16-8-2-4-13(5-3-8)17-10-6-9(14)11(23(15,19)20)7-12(10)24(21,22)18-13;/h6-8,16-18H,2-5H2,1H3,(H2,15,19,20);1H.
What are the key properties of 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride?
6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride has a molecular weight of 431.37 g/mol, XLogP of 0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4'-(methylamino)-1,1-dioxospiro[2,4-dihydro-1λ6,2,4-benzothiadiazine-3,1'-cyclohexane]-7-sulfonamide;hydrochloride is sourced from PubChem (CID 23337796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).