N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide

C17H16Cl2N2O3S2 — CID 40849516

IUPACN-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
SMILESCOCCn1c(=NS(=O)(=O)c2ccc(C)cc2)sc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C17H16Cl2N2O3S2/c1-11-3-5-12(6-4-11)26(22,23)20-17-21(9-10-24-2)15-13(18)7-8-14(19)16(15)25-17/h3-8H,9-10H2,1-2H3
InChIKeyGWWFCUBODMLVGU-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.25
Rot. Bonds5

About N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide

N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide (PubChem CID 40849516) has the molecular formula C17H16Cl2N2O3S2 and a molecular weight of 431.37 g/mol. Its IUPAC name is N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
PubChem CID40849516
Molecular FormulaC17H16Cl2N2O3S2
Molecular Weight431.37 g/mol
Exact Mass430.00
IUPAC NameN-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
SMILESCOCCn1c(=NS(=O)(=O)c2ccc(C)cc2)sc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C17H16Cl2N2O3S2/c1-11-3-5-12(6-4-11)26(22,23)20-17-21(9-10-24-2)15-13(18)7-8-14(19)16(15)25-17/h3-8H,9-10H2,1-2H3
InChIKeyGWWFCUBODMLVGU-UHFFFAOYSA-N
XLogP4.25
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide 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

(NZ)-5-chloro-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 16841659
ethyl 2-[4,7-dichloro-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 40849511
N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40849518
(NZ)-N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937425
(NZ)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 16937336
(NZ)-4-chloro-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937639
(NZ)-N-[3-(2-ethoxyethyl)-4,7-dimethoxy-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 16937204
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891793
N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 121055405
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 40849507
3-(benzenesulfonyl)-N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 42387914
N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40891760

Frequently Asked Questions

What is the IUPAC name of N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide (CID 40849516) is N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide is COCCn1c(=NS(=O)(=O)c2ccc(C)cc2)sc2c(Cl)ccc(Cl)c21.
What is the InChIKey of N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is GWWFCUBODMLVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S2/c1-11-3-5-12(6-4-11)26(22,23)20-17-21(9-10-24-2)15-13(18)7-8-14(19)16(15)25-17/h3-8H,9-10H2,1-2H3.
What are the key properties of N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide?
N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 431.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,7-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 40849516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).