2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide

C16H15BrN4O3S2 — CID 6619477

IUPAC2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide
SMILESCN(C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4O3S2/c1-20(10-15(22)21(2)12-8-6-11(17)7-9-12)26(23,24)14-5-3-4-13-16(14)19-25-18-13/h3-9H,10H2,1-2H3
InChIKeyCFDIGPRYEABSEC-UHFFFAOYSA-N
MW455.36 g/mol
LogP2.74
Rot. Bonds5

About 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide (PubChem CID 6619477) has the molecular formula C16H15BrN4O3S2 and a molecular weight of 455.36 g/mol. Its IUPAC name is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide
PubChem CID6619477
Molecular FormulaC16H15BrN4O3S2
Molecular Weight455.36 g/mol
Exact Mass453.98
IUPAC Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide
SMILESCN(C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4O3S2/c1-20(10-15(22)21(2)12-8-6-11(17)7-9-12)26(23,24)14-5-3-4-13-16(14)19-25-18-13/h3-9H,10H2,1-2H3
InChIKeyCFDIGPRYEABSEC-UHFFFAOYSA-N
XLogP2.74
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide 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

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 3245497
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 20856851
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 20856847
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 3239649
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 20856982
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 61395259
methyl 2-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]acetyl]amino]benzoate
CID 20856855
N-methyl-N-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 20857000
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 46633675
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide
CID 51170144
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 17371538
N-(2,1,3-benzothiadiazol-4-yl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 31374291

Frequently Asked Questions

What is the IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide?
The IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide (CID 6619477) is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide?
The canonical SMILES for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide is CN(C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccc(Br)cc1.
What is the InChIKey of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide?
The InChIKey is CFDIGPRYEABSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3S2/c1-20(10-15(22)21(2)12-8-6-11(17)7-9-12)26(23,24)14-5-3-4-13-16(14)19-25-18-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide?
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide has a molecular weight of 455.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide is sourced from PubChem (CID 6619477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).