N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

C21H14Cl2N2O4S — CID 54728416

IUPACN-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(Cl)cc2Cl)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1
InChIInChI=1S/C21H14Cl2N2O4S/c22-13-7-10-15(17(23)11-13)12-5-8-14(9-6-12)24-21(27)19-20(26)16-3-1-2-4-18(16)30(28,29)25-19/h1-11,25-26H,(H,24,27)
InChIKeyDENVPCYEFJNAEA-UHFFFAOYSA-N
MW461.33 g/mol
LogP4.82
Rot. Bonds3

About N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54728416) has the molecular formula C21H14Cl2N2O4S and a molecular weight of 461.33 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54728416
Molecular FormulaC21H14Cl2N2O4S
Molecular Weight461.33 g/mol
Exact Mass460.01
IUPAC NameN-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(Cl)cc2Cl)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1
InChIInChI=1S/C21H14Cl2N2O4S/c22-13-7-10-15(17(23)11-13)12-5-8-14(9-6-12)24-21(27)19-20(26)16-3-1-2-4-18(16)30(28,29)25-19/h1-11,25-26H,(H,24,27)
InChIKeyDENVPCYEFJNAEA-UHFFFAOYSA-N
XLogP4.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
CID 54728423
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 141335052
2,4-dichloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-2,2-dimethylpropyl]benzamide
CID 137172438
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
N-(4-chlorophenyl)-2-methyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 53276969
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methylbutanoate
CID 135608956
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
N-[4-(2-chlorophenyl)phenyl]-2-hydroxyacetamide
CID 54430946
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 135756840
5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide
CID 10093631

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide (CID 54728416) is N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide is O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is DENVPCYEFJNAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O4S/c22-13-7-10-15(17(23)11-13)12-5-8-14(9-6-12)24-21(27)19-20(26)16-3-1-2-4-18(16)30(28,29)25-19/h1-11,25-26H,(H,24,27).
What are the key properties of N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 461.33 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54728416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).