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

C15H16ClN3O6S2 — CID 51923138

IUPAC(3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCOc1cccc([C@@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)c1OC
InChIInChI=1S/C15H16ClN3O6S2/c1-24-11-5-3-4-8(14(11)25-2)15-18-10-6-9(16)12(26(17,20)21)7-13(10)27(22,23)19-15/h3-7,15,18-19H,1-2H3,(H2,17,20,21)/t15-/m1/s1
InChIKeyCYHPEICRNQVRSB-OAHLLOKOSA-N
MW433.90 g/mol
LogP1.41
Rot. Bonds4

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

(3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide (PubChem CID 51923138) has the molecular formula C15H16ClN3O6S2 and a molecular weight of 433.90 g/mol. Its IUPAC name is (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.

Molecular Properties

Compound Name(3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
PubChem CID51923138
Molecular FormulaC15H16ClN3O6S2
Molecular Weight433.90 g/mol
Exact Mass433.02
IUPAC Name(3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
SMILESCOc1cccc([C@@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)c1OC
InChIInChI=1S/C15H16ClN3O6S2/c1-24-11-5-3-4-8(14(11)25-2)15-18-10-6-9(16)12(26(17,20)21)7-13(10)27(22,23)19-15/h3-7,15,18-19H,1-2H3,(H2,17,20,21)/t15-/m1/s1
InChIKeyCYHPEICRNQVRSB-OAHLLOKOSA-N
XLogP1.41
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The IUPAC name of (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide (CID 51923138) is (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide.
What is the SMILES notation for (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The canonical SMILES for (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide is COc1cccc([C@@H]2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)c1OC.
What is the InChIKey of (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
The InChIKey is CYHPEICRNQVRSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClN3O6S2/c1-24-11-5-3-4-8(14(11)25-2)15-18-10-6-9(16)12(26(17,20)21)7-13(10)27(22,23)19-15/h3-7,15,18-19H,1-2H3,(H2,17,20,21)/t15-/m1/s1.
What are the key properties of (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide?
(3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide has a molecular weight of 433.90 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-3-(2,3-dimethoxyphenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide is sourced from PubChem (CID 51923138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).