N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C22H16Cl2N2O4S — CID 54690087

IUPACN-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1=C(O)c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C22H16Cl2N2O4S/c23-15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(27)21(31(26,29)30)22(28)25-18-7-3-2-6-17(18)24/h1-12,27H,13H2,(H,25,28)
InChIKeyXNGCGCSPZNRXEJ-UHFFFAOYSA-N
MW475.35 g/mol
LogP5.21
Rot. Bonds4

About N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 54690087) has the molecular formula C22H16Cl2N2O4S and a molecular weight of 475.35 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID54690087
Molecular FormulaC22H16Cl2N2O4S
Molecular Weight475.35 g/mol
Exact Mass474.02
IUPAC NameN-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1=C(O)c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C22H16Cl2N2O4S/c23-15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(27)21(31(26,29)30)22(28)25-18-7-3-2-6-17(18)24/h1-12,27H,13H2,(H,25,28)
InChIKeyXNGCGCSPZNRXEJ-UHFFFAOYSA-N
XLogP5.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.35
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-4-hydroxy-N-(2-methoxyphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 54690088
1-[(4-fluorophenyl)methyl]-4-hydroxy-N-(4-methoxyphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 142725102
6-chloro-N-(2-chlorophenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592546
N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 86298598
sodium;N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-3H-2λ6,1-benzothiazepine-5-carboxamide;hydride
CID 173397381
1-benzyl-N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592833
6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 86120283
N-(2-carbamoylphenyl)-1-ethyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592245
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
(3E)-1-[(4-chlorophenyl)methyl]-3-[(2-methoxyethylamino)methylidene]-2,2-dioxo-2λ6,1-benzothiazin-4-one
CID 46506525
(4S)-2-amino-6-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)-5,5-dioxo-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
CID 92893030
5-amino-N-(2-chlorophenyl)furan-2-carboxamide
CID 82344260

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 54690087) is N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is O=C(Nc1ccccc1Cl)C1=C(O)c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O.
What is the InChIKey of N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is XNGCGCSPZNRXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4S/c23-15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(27)21(31(26,29)30)22(28)25-18-7-3-2-6-17(18)24/h1-12,27H,13H2,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 475.35 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 54690087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).