N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

C18H20N2O4S2 — CID 20903343

IUPACN-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(CC)S3)cc1
InChIInChI=1S/C18H20N2O4S2/c1-3-16-18(21)19-15-11-14(9-10-17(15)25-16)26(22,23)20-12-5-7-13(8-6-12)24-4-2/h5-11,16,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyGNCSTFHWXAOAQF-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.71
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 20903343) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID20903343
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC NameN-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(CC)S3)cc1
InChIInChI=1S/C18H20N2O4S2/c1-3-16-18(21)19-15-11-14(9-10-17(15)25-16)26(22,23)20-12-5-7-13(8-6-12)24-4-2/h5-11,16,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyGNCSTFHWXAOAQF-UHFFFAOYSA-N
XLogP3.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903340
N-(5-chloro-2-methylphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903336
2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 169008465
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
N-(3,5-dimethoxyphenyl)-3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 20902890
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (CID 20903343) is N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C(CC)S3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is GNCSTFHWXAOAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-3-16-18(21)19-15-11-14(9-10-17(15)25-16)26(22,23)20-12-5-7-13(8-6-12)24-4-2/h5-11,16,20H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 392.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 20903343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).