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

C15H12BrN3O3S2 — CID 46291167

IUPAC2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
SMILESCS(=O)(=O)Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1
InChIInChI=1S/C15H12BrN3O3S2/c1-24(21,22)19-15-18-12-7-6-9(8-13(12)23-15)17-14(20)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyWTLFMJUSSZYCQI-UHFFFAOYSA-N
MW426.32 g/mol
LogP3.68
Rot. Bonds4

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

2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide (PubChem CID 46291167) has the molecular formula C15H12BrN3O3S2 and a molecular weight of 426.32 g/mol. Its IUPAC name is 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
PubChem CID46291167
Molecular FormulaC15H12BrN3O3S2
Molecular Weight426.32 g/mol
Exact Mass424.95
IUPAC Name2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
SMILESCS(=O)(=O)Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1
InChIInChI=1S/C15H12BrN3O3S2/c1-24(21,22)19-15-18-12-7-6-9(8-13(12)23-15)17-14(20)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyWTLFMJUSSZYCQI-UHFFFAOYSA-N
XLogP3.68
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-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-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778
2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 55350812
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
2-bromo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42013873
1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382418
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-(trifluoromethyl)benzamide
CID 46291162
2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 50882049
1-(3,4-dimethoxyphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382427
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide?
The IUPAC name of 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide (CID 46291167) is 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide is CS(=O)(=O)Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1.
What is the InChIKey of 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide?
The InChIKey is WTLFMJUSSZYCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S2/c1-24(21,22)19-15-18-12-7-6-9(8-13(12)23-15)17-14(20)10-4-2-3-5-11(10)16/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide?
2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide has a molecular weight of 426.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide is sourced from PubChem (CID 46291167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).