N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide

C16H15ClN2O4S2 — CID 54687619

IUPACN-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide
SMILESCc1sc2c(c1C)C(O)=C(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N2C
InChIInChI=1S/C16H15ClN2O4S2/c1-8-9(2)24-16-12(8)13(20)14(25(22,23)19(16)3)15(21)18-11-6-4-10(17)5-7-11/h4-7,20H,1-3H3,(H,18,21)
InChIKeyXAHWNSHVAQPACD-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.66
Rot. Bonds2

About N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide

N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide (PubChem CID 54687619) has the molecular formula C16H15ClN2O4S2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide
PubChem CID54687619
Molecular FormulaC16H15ClN2O4S2
Molecular Weight398.89 g/mol
Exact Mass398.02
IUPAC NameN-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide
SMILESCc1sc2c(c1C)C(O)=C(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N2C
InChIInChI=1S/C16H15ClN2O4S2/c1-8-9(2)24-16-12(8)13(20)14(25(22,23)19(16)3)15(21)18-11-6-4-10(17)5-7-11/h4-7,20H,1-3H3,(H,18,21)
InChIKeyXAHWNSHVAQPACD-UHFFFAOYSA-N
XLogP3.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide (CID 54687619) is N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide is Cc1sc2c(c1C)C(O)=C(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N2C.
What is the InChIKey of N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide?
The InChIKey is XAHWNSHVAQPACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S2/c1-8-9(2)24-16-12(8)13(20)14(25(22,23)19(16)3)15(21)18-11-6-4-10(17)5-7-11/h4-7,20H,1-3H3,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide?
N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-hydroxy-1,5,6-trimethyl-2,2-dioxothieno[2,3-c]thiazine-3-carboxamide is sourced from PubChem (CID 54687619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).