N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

C15H15ClN2O3S3 — CID 55589821

IUPACN-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCSc2ccc(Cl)cc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15ClN2O3S3/c1-17(24(20,21)15-3-2-7-23-15)10-14(19)18-6-8-22-13-5-4-11(16)9-12(13)18/h2-5,7,9H,6,8,10H2,1H3
InChIKeyBSXCVRIMPGJSIW-UHFFFAOYSA-N
MW402.95 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 55589821) has the molecular formula C15H15ClN2O3S3 and a molecular weight of 402.95 g/mol. Its IUPAC name is N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
PubChem CID55589821
Molecular FormulaC15H15ClN2O3S3
Molecular Weight402.95 g/mol
Exact Mass401.99
IUPAC NameN-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCSc2ccc(Cl)cc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H15ClN2O3S3/c1-17(24(20,21)15-3-2-7-23-15)10-14(19)18-6-8-22-13-5-4-11(16)9-12(13)18/h2-5,7,9H,6,8,10H2,1H3
InChIKeyBSXCVRIMPGJSIW-UHFFFAOYSA-N
XLogP3.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55590262
N-[2-[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 16558624
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47024797
N-[2-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 16560718
N-methyl-N-[2-oxo-2-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]thiophene-2-sulfonamide
CID 31843189
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55586201
(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560681
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109
N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 17485175
1-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-methoxyphenyl)sulfanylethanone
CID 55590594
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 66260767

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide (CID 55589821) is N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide is CN(CC(=O)N1CCSc2ccc(Cl)cc21)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is BSXCVRIMPGJSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S3/c1-17(24(20,21)15-3-2-7-23-15)10-14(19)18-6-8-22-13-5-4-11(16)9-12(13)18/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 402.95 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 55589821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).