6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide

C17H10ClF3N4O3S2 — CID 146301241

IUPAC6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cc2c(cc1Cl)NC(c1nccs1)NS2(=O)=O
InChIInChI=1S/C17H10ClF3N4O3S2/c18-9-6-12-13(30(27,28)25-15(24-12)17-22-1-2-29-17)5-8(9)16(26)23-7-3-10(19)14(21)11(20)4-7/h1-6,15,24-25H,(H,23,26)
InChIKeyVIAZKKAZURQLPQ-UHFFFAOYSA-N
MW474.87 g/mol
LogP3.87
Rot. Bonds3

About 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide

6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide (PubChem CID 146301241) has the molecular formula C17H10ClF3N4O3S2 and a molecular weight of 474.87 g/mol. Its IUPAC name is 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide.

Molecular Properties

Compound Name6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide
PubChem CID146301241
Molecular FormulaC17H10ClF3N4O3S2
Molecular Weight474.87 g/mol
Exact Mass473.98
IUPAC Name6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cc2c(cc1Cl)NC(c1nccs1)NS2(=O)=O
InChIInChI=1S/C17H10ClF3N4O3S2/c18-9-6-12-13(30(27,28)25-15(24-12)17-22-1-2-29-17)5-8(9)16(26)23-7-3-10(19)14(21)11(20)4-7/h1-6,15,24-25H,(H,23,26)
InChIKeyVIAZKKAZURQLPQ-UHFFFAOYSA-N
XLogP3.87
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.87
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1,1-dioxo-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 146301353
1,1-dioxo-3-pyrimidin-2-yl-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 146301247
1,1-dioxo-3-pyridin-3-yl-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 146301263
5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 169122460
N-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropyl)-1,1-dioxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 135317452
(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-(3-methoxypropyl)-1,1-dioxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 135317589
N-(3-chloro-4-fluorophenyl)-1,1-dioxo-2-(oxolan-2-ylmethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 135316351
N-(3-chloro-4-fluorophenyl)-1,1-dioxo-2-(oxolan-2-ylmethyl)-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 158834665
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
(3R)-7-chloro-N-(3,4-difluorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-3-carboxamide
CID 93069254
3-methyl-1,1-dioxo-3-pyrazin-2-yl-N-(3,4,5-trifluorophenyl)-2,4-dihydro-1λ6,2,4-benzothiadiazine-7-carboxamide
CID 146301306
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide?
The IUPAC name of 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide (CID 146301241) is 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide.
What is the SMILES notation for 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide?
The canonical SMILES for 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)c1cc2c(cc1Cl)NC(c1nccs1)NS2(=O)=O.
What is the InChIKey of 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide?
The InChIKey is VIAZKKAZURQLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O3S2/c18-9-6-12-13(30(27,28)25-15(24-12)17-22-1-2-29-17)5-8(9)16(26)23-7-3-10(19)14(21)11(20)4-7/h1-6,15,24-25H,(H,23,26).
What are the key properties of 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide?
6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide has a molecular weight of 474.87 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,1-dioxo-3-(1,3-thiazol-2-yl)-N-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-carboxamide is sourced from PubChem (CID 146301241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).