N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

C18H20N2O3S2 — CID 22550188

IUPACN-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C18H20N2O3S2/c1-3-20(12-14-7-5-4-6-8-14)25(22,23)15-9-10-17-16(11-15)19-18(21)13(2)24-17/h4-11,13H,3,12H2,1-2H3,(H,19,21)
InChIKeyBCTDRWHLPAKYJA-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.33
Rot. Bonds5

About N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 22550188) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID22550188
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)C(C)S2
InChIInChI=1S/C18H20N2O3S2/c1-3-20(12-14-7-5-4-6-8-14)25(22,23)15-9-10-17-16(11-15)19-18(21)13(2)24-17/h4-11,13H,3,12H2,1-2H3,(H,19,21)
InChIKeyBCTDRWHLPAKYJA-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperidin-1-yl)sulfonyl-2-methyl-4H-1,4-benzothiazin-3-one
CID 22550164
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
(2R)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26354018
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzothiazine-6-sulfonamide
CID 110759504
2-methyl-N-[2-(3-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550200
(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188424
(2S)-N-benzyl-N-methyl-2-(4-methylpiperidine-1-carbonyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 95085029
2-methyl-6-[[methyl(propan-2-yl)amino]methyl]-4H-1,4-benzothiazin-3-one
CID 117044059
2-methyl-4H-1,4-benzothiazin-3-one;propane
CID 143681564
(2R)-2-(azepane-1-carbonyl)-N-benzyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 95085175
2-methyl-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-phenylpropyl)propanamide
CID 20923216

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (CID 22550188) is N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)C(C)S2.
What is the InChIKey of N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is BCTDRWHLPAKYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-3-20(12-14-7-5-4-6-8-14)25(22,23)15-9-10-17-16(11-15)19-18(21)13(2)24-17/h4-11,13H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 22550188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).