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

C14H11ClN2O4S2 — CID 54685593

IUPACN-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C14H11ClN2O4S2/c1-17-10-6-7-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-8(15)3-5-9/h2-7,18H,1H3,(H,16,19)
InChIKeyYSDMJNXAVNBGID-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.05
Rot. Bonds2

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

N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54685593) has the molecular formula C14H11ClN2O4S2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
PubChem CID54685593
Molecular FormulaC14H11ClN2O4S2
Molecular Weight370.84 g/mol
Exact Mass369.98
IUPAC NameN-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C14H11ClN2O4S2/c1-17-10-6-7-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-8(15)3-5-9/h2-7,18H,1H3,(H,16,19)
InChIKeyYSDMJNXAVNBGID-UHFFFAOYSA-N
XLogP3.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.05
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-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide (CID 54685593) is N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is CN1c2ccsc2C(O)=C(C(=O)Nc2ccc(Cl)cc2)S1(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is YSDMJNXAVNBGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4S2/c1-17-10-6-7-22-12(10)11(18)13(23(17,20)21)14(19)16-9-4-2-8(15)3-5-9/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide?
N-(4-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.05, 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-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54685593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).