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

C16H13Cl2N3O3S2 — CID 2159265

IUPACN-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)cc1
InChIInChI=1S/C16H13Cl2N3O3S2/c1-21(2)26(23,24)11-5-3-9(4-6-11)15(22)20-16-19-14-12(18)7-10(17)8-13(14)25-16/h3-8H,1-2H3,(H,19,20,22)
InChIKeyRQBWHJKLLRROOK-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.11
Rot. Bonds4

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

N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 2159265) has the molecular formula C16H13Cl2N3O3S2 and a molecular weight of 430.34 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
PubChem CID2159265
Molecular FormulaC16H13Cl2N3O3S2
Molecular Weight430.34 g/mol
Exact Mass428.98
IUPAC NameN-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)cc1
InChIInChI=1S/C16H13Cl2N3O3S2/c1-21(2)26(23,24)11-5-3-9(4-6-11)15(22)20-16-19-14-12(18)7-10(17)8-13(14)25-16/h3-8H,1-2H3,(H,19,20,22)
InChIKeyRQBWHJKLLRROOK-UHFFFAOYSA-N
XLogP4.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 4085392
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 1355448
4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3567285
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4058144
2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide
CID 43989361
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 5003139
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7565735
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993217
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2324013

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide (CID 2159265) is N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)cc(Cl)cc3s2)cc1.
What is the InChIKey of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is RQBWHJKLLRROOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S2/c1-21(2)26(23,24)11-5-3-9(4-6-11)15(22)20-16-19-14-12(18)7-10(17)8-13(14)25-16/h3-8H,1-2H3,(H,19,20,22).
What are the key properties of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide?
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 430.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2159265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).