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

C18H18ClN3O4S2 — CID 26251712

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)sc2c1
InChIInChI=1S/C18H18ClN3O4S2/c1-4-26-12-6-8-14-15(10-12)27-18(20-14)21-17(23)11-5-7-13(19)16(9-11)28(24,25)22(2)3/h5-10H,4H2,1-3H3,(H,20,21,23)
InChIKeyLKAPFHYCURHPBN-UHFFFAOYSA-N
MW439.95 g/mol
LogP3.85
Rot. Bonds6

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

4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 26251712) has the molecular formula C18H18ClN3O4S2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID26251712
Molecular FormulaC18H18ClN3O4S2
Molecular Weight439.95 g/mol
Exact Mass439.04
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)sc2c1
InChIInChI=1S/C18H18ClN3O4S2/c1-4-26-12-6-8-14-15(10-12)27-18(20-14)21-17(23)11-5-7-13(19)16(9-11)28(24,25)22(2)3/h5-10H,4H2,1-3H3,(H,20,21,23)
InChIKeyLKAPFHYCURHPBN-UHFFFAOYSA-N
XLogP3.85
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27675707
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 26251702
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
4-[butyl(methyl)sulfamoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 4673627
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2117790
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
6-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 78859276

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 26251712) is 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N(C)C)c3)sc2c1.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is LKAPFHYCURHPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S2/c1-4-26-12-6-8-14-15(10-12)27-18(20-14)21-17(23)11-5-7-13(19)16(9-11)28(24,25)22(2)3/h5-10H,4H2,1-3H3,(H,20,21,23).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 439.95 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 26251712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).