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

C15H23ClN4O5S2 — CID 91576307

IUPAC6-chloro-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCC1(C)CC(C2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)C(C)(C)N1O
InChIInChI=1S/C15H23ClN4O5S2/c1-14(2)7-8(15(3,4)20(14)21)13-18-10-5-9(16)11(26(17,22)23)6-12(10)27(24,25)19-13/h5-6,8,13,18-19,21H,7H2,1-4H3,(H2,17,22,23)
InChIKeyRGUYFAGAVDDROZ-UHFFFAOYSA-N
MW438.96 g/mol
LogP1.29
Rot. Bonds2

About 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

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 (PubChem CID 91576307) has the molecular formula C15H23ClN4O5S2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-chloro-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID91576307
Molecular FormulaC15H23ClN4O5S2
Molecular Weight438.96 g/mol
Exact Mass438.08
IUPAC Name6-chloro-3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCC1(C)CC(C2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)C(C)(C)N1O
InChIInChI=1S/C15H23ClN4O5S2/c1-14(2)7-8(15(3,4)20(14)21)13-18-10-5-9(16)11(26(17,22)23)6-12(10)27(24,25)19-13/h5-6,8,13,18-19,21H,7H2,1-4H3,(H2,17,22,23)
InChIKeyRGUYFAGAVDDROZ-UHFFFAOYSA-N
XLogP1.29
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(C2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)C(C)(C)N1O.
What is the InChIKey of 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?
The InChIKey is RGUYFAGAVDDROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O5S2/c1-14(2)7-8(15(3,4)20(14)21)13-18-10-5-9(16)11(26(17,22)23)6-12(10)27(24,25)19-13/h5-6,8,13,18-19,21H,7H2,1-4H3,(H2,17,22,23).
What are the key properties of 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?
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 has a molecular weight of 438.96 g/mol, XLogP of 1.29, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91576307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).