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

C15H14N2O3S2 — CID 110778775

IUPAC3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C15H14N2O3S2/c1-10-3-2-4-12(7-10)22(19,20)17-11-5-6-14-13(8-11)16-15(18)9-21-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyUPRUGYKLVBNEHZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.84
Rot. Bonds3

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

3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide (PubChem CID 110778775) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
PubChem CID110778775
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)c1
InChIInChI=1S/C15H14N2O3S2/c1-10-3-2-4-12(7-10)22(19,20)17-11-5-6-14-13(8-11)16-15(18)9-21-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyUPRUGYKLVBNEHZ-UHFFFAOYSA-N
XLogP2.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550030
N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759476
N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide
CID 45491872
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778857
N-(4-cyanophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759482
5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide
CID 61274772
N-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927765
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 46388735
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
N-(2,1,3-benzothiadiazol-5-yl)-3-methylbenzenesulfonamide
CID 42545343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide (CID 110778775) is 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CS3)c1.
What is the InChIKey of 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide?
The InChIKey is UPRUGYKLVBNEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-10-3-2-4-12(7-10)22(19,20)17-11-5-6-14-13(8-11)16-15(18)9-21-14/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide?
3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 110778775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).