9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide

C23H17NO4S2 — CID 6618136

IUPAC9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H17NO4S2/c1-16-10-13-22-21(14-16)20-8-4-5-9-23(20)30(27,28)24(22)29(25,26)19-12-11-17-6-2-3-7-18(17)15-19/h2-15H,1H3
InChIKeyUAIDFBZKKXDDGM-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.71
Rot. Bonds2

About 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide

9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 6618136) has the molecular formula C23H17NO4S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID6618136
Molecular FormulaC23H17NO4S2
Molecular Weight435.53 g/mol
Exact Mass435.06
IUPAC Name9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H17NO4S2/c1-16-10-13-22-21(14-16)20-8-4-5-9-23(20)30(27,28)24(22)29(25,26)19-12-11-17-6-2-3-7-18(17)15-19/h2-15H,1H3
InChIKeyUAIDFBZKKXDDGM-UHFFFAOYSA-N
XLogP4.71
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide 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

2,8-dimethyl-5-naphthalen-2-ylsulfonyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole
CID 4790667
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1-naphthalen-2-ylsulfonyl-2H-indol-3-one
CID 172633436
lithium;hydride;2-methylnaphthalene
CID 175090071
6-(benzenesulfonyl)-7-methoxybenzo[c][1,2]benzothiazine 5,5-dioxide
CID 3719228
2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene
CID 54552474
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-(4-chlorophenyl)sulfonyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 3621349
anthracene-9,10-dione;2-methylanthracene
CID 159482173
2-ethyl-3-[hydroxy-(4-methylphenyl)methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one;2-ethyl-3-[hydroxy(naphthalen-2-yl)methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one
CID 158520597
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-[5-methyl-2-(4-methyl-2-naphthalen-2-ylphenyl)sulfonylphenyl]naphthalene
CID 22211601

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide (CID 6618136) is 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide is Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is UAIDFBZKKXDDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4S2/c1-16-10-13-22-21(14-16)20-8-4-5-9-23(20)30(27,28)24(22)29(25,26)19-12-11-17-6-2-3-7-18(17)15-19/h2-15H,1H3.
What are the key properties of 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide?
9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 435.53 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-naphthalen-2-ylsulfonylbenzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 6618136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).