N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

C21H17ClN2O3S — CID 46368448

IUPACN-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C21H17ClN2O3S/c1-13-17(22)7-5-8-18(13)23-21(25)14-10-11-19-16(12-14)15-6-3-4-9-20(15)28(26,27)24(19)2/h3-12H,1-2H3,(H,23,25)
InChIKeyYYIUJHKRDNCDIZ-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.71
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 46368448) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID46368448
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC NameN-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C21H17ClN2O3S/c1-13-17(22)7-5-8-18(13)23-21(25)14-10-11-19-16(12-14)15-6-3-4-9-20(15)28(26,27)24(19)2/h3-12H,1-2H3,(H,23,25)
InChIKeyYYIUJHKRDNCDIZ-UHFFFAOYSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814629
6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417
N-[2-(butan-2-ylcarbamoyl)phenyl]-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368463
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368471
6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814575
4-chloro-N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516991
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 99969655
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 132654046
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (CID 46368448) is N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is YYIUJHKRDNCDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c1-13-17(22)7-5-8-18(13)23-21(25)14-10-11-19-16(12-14)15-6-3-4-9-20(15)28(26,27)24(19)2/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 46368448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).