2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

C27H23N3O6S2 — CID 43882858

IUPAC2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3c4ccccc4-c4ccccc4S3(=O)=O)cc2)cc1
InChIInChI=1S/C27H23N3O6S2/c1-36-21-14-10-20(11-15-21)29-37(32,33)22-16-12-19(13-17-22)28-27(31)18-30-25-8-4-2-6-23(25)24-7-3-5-9-26(24)38(30,34)35/h2-17,29H,18H2,1H3,(H,28,31)
InChIKeyGUDFGUBBHXEBMB-UHFFFAOYSA-N
MW549.63 g/mol
LogP4.31
Rot. Bonds7

About 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43882858) has the molecular formula C27H23N3O6S2 and a molecular weight of 549.63 g/mol. Its IUPAC name is 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID43882858
Molecular FormulaC27H23N3O6S2
Molecular Weight549.63 g/mol
Exact Mass549.10
IUPAC Name2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3c4ccccc4-c4ccccc4S3(=O)=O)cc2)cc1
InChIInChI=1S/C27H23N3O6S2/c1-36-21-14-10-20(11-15-21)29-37(32,33)22-16-12-19(13-17-22)28-27(31)18-30-25-8-4-2-6-23(25)24-7-3-5-9-26(24)38(30,34)35/h2-17,29H,18H2,1H3,(H,28,31)
InChIKeyGUDFGUBBHXEBMB-UHFFFAOYSA-N
XLogP4.31
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.63
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 43882964
2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 43882946
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 43882923
2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882953
N-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]-2-(9-methyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 43882981
2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(4-methoxyphenyl)acetamide
CID 1016562
2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43882888
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 41333032
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 126189748
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 92673900
2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide
CID 17200869
N-(4-bromo-3-chlorophenyl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591895

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 43882858) is 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3c4ccccc4-c4ccccc4S3(=O)=O)cc2)cc1.
What is the InChIKey of 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is GUDFGUBBHXEBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O6S2/c1-36-21-14-10-20(11-15-21)29-37(32,33)22-16-12-19(13-17-22)28-27(31)18-30-25-8-4-2-6-23(25)24-7-3-5-9-26(24)38(30,34)35/h2-17,29H,18H2,1H3,(H,28,31).
What are the key properties of 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 549.63 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43882858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).