5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide

C12H12N4O3S2 — CID 61274772

IUPAC5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H12N4O3S2/c1-7-11(5-13-15-7)21(18,19)16-8-2-3-10-9(4-8)14-12(17)6-20-10/h2-5,16H,6H2,1H3,(H,13,15)(H,14,17)
InChIKeyPQKJIUCOZAPJDJ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.56
Rot. Bonds3

About 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61274772) has the molecular formula C12H12N4O3S2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61274772
Molecular FormulaC12H12N4O3S2
Molecular Weight324.39 g/mol
Exact Mass324.04
IUPAC Name5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H12N4O3S2/c1-7-11(5-13-15-7)21(18,19)16-8-2-3-10-9(4-8)14-12(17)6-20-10/h2-5,16H,6H2,1H3,(H,13,15)(H,14,17)
InChIKeyPQKJIUCOZAPJDJ-UHFFFAOYSA-N
XLogP1.56
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778775
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550030
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
6-[(5-methyl-1H-imidazol-4-yl)methylamino]-4H-1,4-benzothiazin-3-one
CID 62747639
6-(prop-2-ynylamino)-4H-1,4-benzothiazin-3-one
CID 60680899
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449
3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 54930241
N-(4-cyanophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759482

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide (CID 61274772) is 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PQKJIUCOZAPJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S2/c1-7-11(5-13-15-7)21(18,19)16-8-2-3-10-9(4-8)14-12(17)6-20-10/h2-5,16H,6H2,1H3,(H,13,15)(H,14,17).
What are the key properties of 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 324.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61274772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).