N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide

C19H16FN3O4S — CID 54684985

IUPACN-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)cc2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O
InChIInChI=1S/C19H16FN3O4S/c1-22-14-6-4-3-5-13(14)18-15(22)17(24)16(23(2)28(18,26)27)19(25)21-12-9-7-11(20)8-10-12/h3-10,24H,1-2H3,(H,21,25)
InChIKeyZAKFSHITXUNCKU-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.82
Rot. Bonds2

About N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide

N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide (PubChem CID 54684985) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide
PubChem CID54684985
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC NameN-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)cc2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O
InChIInChI=1S/C19H16FN3O4S/c1-22-14-6-4-3-5-13(14)18-15(22)17(24)16(23(2)28(18,26)27)19(25)21-12-9-7-11(20)8-10-12/h3-10,24H,1-2H3,(H,21,25)
InChIKeyZAKFSHITXUNCKU-UHFFFAOYSA-N
XLogP2.82
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate
CID 54684931
2-ethyl-4-hydroxy-5-methyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylic acid
CID 70604859
2-ethyl-4-hydroxy-5-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide
CID 54684972
4-hydroxy-5-methyl-1,1-dioxo-2H-thiazino[5,6-b]indole-3-carboxamide
CID 54684949
1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide
CID 54718441
N-[2-(4-fluoroanilino)phenyl]-1-methyl-4-oxoquinoline-2-carboxamide
CID 166365874
N-(4-chlorophenyl)-2-(4-fluorophenyl)sulfanyl-1-methylindole-3-carboxamide
CID 4309234
N-(4-fluorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
CID 54687555
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide (CID 54684985) is N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide is CN1C(C(=O)Nc2ccc(F)cc2)=C(O)c2c(c3ccccc3n2C)S1(=O)=O.
What is the InChIKey of N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide?
The InChIKey is ZAKFSHITXUNCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c1-22-14-6-4-3-5-13(14)18-15(22)17(24)16(23(2)28(18,26)27)19(25)21-12-9-7-11(20)8-10-12/h3-10,24H,1-2H3,(H,21,25).
What are the key properties of N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide?
N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxamide is sourced from PubChem (CID 54684985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).