2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

C18H18BrN3O3S2 — CID 5007269

IUPAC2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1
InChIInChI=1S/C18H18BrN3O3S2/c1-3-22(4-2)27(24,25)12-9-10-15-16(11-12)26-18(20-15)21-17(23)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyXOUUIFDTIZECBC-UHFFFAOYSA-N
MW468.40 g/mol
LogP4.34
Rot. Bonds6

About 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 5007269) has the molecular formula C18H18BrN3O3S2 and a molecular weight of 468.40 g/mol. Its IUPAC name is 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID5007269
Molecular FormulaC18H18BrN3O3S2
Molecular Weight468.40 g/mol
Exact Mass467.00
IUPAC Name2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1
InChIInChI=1S/C18H18BrN3O3S2/c1-3-22(4-2)27(24,25)12-9-10-15-16(11-12)26-18(20-15)21-17(23)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyXOUUIFDTIZECBC-UHFFFAOYSA-N
XLogP4.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide 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-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-[[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]sulfamoyl]benzamide
CID 4049160
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-(4-methylbenzoyl)benzamide
CID 4671611
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
5-(diethylsulfamoyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983232
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
2-(4-chloro-3-nitrobenzoyl)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 4106258
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (CID 5007269) is 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1.
What is the InChIKey of 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is XOUUIFDTIZECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S2/c1-3-22(4-2)27(24,25)12-9-10-15-16(11-12)26-18(20-15)21-17(23)13-7-5-6-8-14(13)19/h5-11H,3-4H2,1-2H3,(H,20,21,23).
What are the key properties of 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 468.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 5007269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).