N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

C22H16Cl2N2O5S — CID 54728423

IUPACN-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESCOc1ccc2c(c1)C(O)=C(C(=O)Nc1ccc(-c3ccc(Cl)c(Cl)c3)cc1)NS2(=O)=O
InChIInChI=1S/C22H16Cl2N2O5S/c1-31-15-7-9-19-16(11-15)21(27)20(26-32(19,29)30)22(28)25-14-5-2-12(3-6-14)13-4-8-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28)
InChIKeyXBXICGFOGCUILQ-UHFFFAOYSA-N
MW491.35 g/mol
LogP4.83
Rot. Bonds4

About N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54728423) has the molecular formula C22H16Cl2N2O5S and a molecular weight of 491.35 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54728423
Molecular FormulaC22H16Cl2N2O5S
Molecular Weight491.35 g/mol
Exact Mass490.02
IUPAC NameN-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
SMILESCOc1ccc2c(c1)C(O)=C(C(=O)Nc1ccc(-c3ccc(Cl)c(Cl)c3)cc1)NS2(=O)=O
InChIInChI=1S/C22H16Cl2N2O5S/c1-31-15-7-9-19-16(11-15)21(27)20(26-32(19,29)30)22(28)25-14-5-2-12(3-6-14)13-4-8-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28)
InChIKeyXBXICGFOGCUILQ-UHFFFAOYSA-N
XLogP4.83
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.35
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dichlorophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
CID 54728416
N-[4-(4-cyanophenyl)phenyl]-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide
CID 54728412
5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 2958681
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
CID 2803430
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679
3-hydroxy-N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-2-carboxamide
CID 54679471
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
(4R)-4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7720759

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide (CID 54728423) is N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide is COc1ccc2c(c1)C(O)=C(C(=O)Nc1ccc(-c3ccc(Cl)c(Cl)c3)cc1)NS2(=O)=O.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is XBXICGFOGCUILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O5S/c1-31-15-7-9-19-16(11-15)21(27)20(26-32(19,29)30)22(28)25-14-5-2-12(3-6-14)13-4-8-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28).
What are the key properties of N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide?
N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 491.35 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)phenyl]-4-hydroxy-6-methoxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54728423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).