2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide

C16H13ClN2O2S — CID 110778816

IUPAC2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
SMILESCC1Sc2ccc(NC(=O)c3ccccc3Cl)cc2NC1=O
InChIInChI=1S/C16H13ClN2O2S/c1-9-15(20)19-13-8-10(6-7-14(13)22-9)18-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyOTZOMGUBAPMIAQ-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.03
Rot. Bonds2

About 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide

2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide (PubChem CID 110778816) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
PubChem CID110778816
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
SMILESCC1Sc2ccc(NC(=O)c3ccccc3Cl)cc2NC1=O
InChIInChI=1S/C16H13ClN2O2S/c1-9-15(20)19-13-8-10(6-7-14(13)22-9)18-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyOTZOMGUBAPMIAQ-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51148430
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl bromide
CID 115193305
(2S)-2-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7779662
benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate
CID 110778827
(2R)-2-methyl-3-oxo-N-(4-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 40791310
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 110793157
(2R)-N-[4-chloro-3-[methyl(propan-2-yl)sulfinamoyl]phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 162521087
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 162521117
2-methyl-3-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 134019707
ethyl 4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]benzoate
CID 7780126
2-methyl-3-oxo-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 162520983
2-methyl-3-oxo-N-(3-piperidin-1-ylsulfanylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 162521097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide (CID 110778816) is 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide is CC1Sc2ccc(NC(=O)c3ccccc3Cl)cc2NC1=O.
What is the InChIKey of 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
The InChIKey is OTZOMGUBAPMIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-9-15(20)19-13-8-10(6-7-14(13)22-9)18-16(21)11-4-2-3-5-12(11)17/h2-9H,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide?
2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide has a molecular weight of 332.81 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide is sourced from PubChem (CID 110778816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).