4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide

C16H15ClN2O3S2 — CID 57411915

IUPAC4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide
SMILESCCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C)c3)sc2c1
InChIInChI=1S/C16H15ClN2O3S2/c1-3-22-11-4-7-14-15(9-11)23-16(18-14)19-24(20,21)12-5-6-13(17)10(2)8-12/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyZYLWBDAFVKRGSU-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.46
Rot. Bonds5

About 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide

4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide (PubChem CID 57411915) has the molecular formula C16H15ClN2O3S2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide
PubChem CID57411915
Molecular FormulaC16H15ClN2O3S2
Molecular Weight382.89 g/mol
Exact Mass382.02
IUPAC Name4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide
SMILESCCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C)c3)sc2c1
InChIInChI=1S/C16H15ClN2O3S2/c1-3-22-11-4-7-14-15(9-11)23-16(18-14)19-24(20,21)12-5-6-13(17)10(2)8-12/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyZYLWBDAFVKRGSU-UHFFFAOYSA-N
XLogP4.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzenesulfonamide
CID 66486153
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590
1-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
CID 83085276
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 7573756
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)butane-1-sulfonamide
CID 116814837
2-chloro-5-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 39855236
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154199
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 18076696
N-(6-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 670284
4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 26251712
4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfonyl]hydrazinyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 56992771

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide (CID 57411915) is 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide is CCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C)c3)sc2c1.
What is the InChIKey of 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is ZYLWBDAFVKRGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S2/c1-3-22-11-4-7-14-15(9-11)23-16(18-14)19-24(20,21)12-5-6-13(17)10(2)8-12/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide?
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 382.89 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 57411915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).