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

C16H16N2O3S2 — CID 110778857

IUPAC3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)S3)c1
InChIInChI=1S/C16H16N2O3S2/c1-10-4-3-5-13(8-10)23(20,21)18-12-6-7-15-14(9-12)17-16(19)11(2)22-15/h3-9,11,18H,1-2H3,(H,17,19)
InChIKeyFWBSFDRJHAAVNV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.23
Rot. Bonds3

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

3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide (PubChem CID 110778857) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
PubChem CID110778857
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)S3)c1
InChIInChI=1S/C16H16N2O3S2/c1-10-4-3-5-13(8-10)23(20,21)18-12-6-7-15-14(9-12)17-16(19)11(2)22-15/h3-9,11,18H,1-2H3,(H,17,19)
InChIKeyFWBSFDRJHAAVNV-UHFFFAOYSA-N
XLogP3.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778775
2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550200
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzothiazine-6-sulfonamide
CID 110759504
(2S)-2-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7779662
(2S)-2-(azepane-1-carbonyl)-N-(3-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 95085332
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl bromide
CID 115193305
2-methyl-3-oxo-N-[4-(pyridin-2-ylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 162520983
2-methyl-6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 22550140
2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 110759488
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 162521117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide (CID 110778857) is 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)S3)c1.
What is the InChIKey of 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide?
The InChIKey is FWBSFDRJHAAVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-10-4-3-5-13(8-10)23(20,21)18-12-6-7-15-14(9-12)17-16(19)11(2)22-15/h3-9,11,18H,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide?
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 110778857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).