N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide

C19H13BrN4O3S2 — CID 46393977

IUPACN-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cccc2nsnc12)c1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C19H13BrN4O3S2/c20-14-7-1-2-10-17(14)29(26,27)24-13-6-3-5-12(11-13)19(25)21-15-8-4-9-16-18(15)23-28-22-16/h1-11,24H,(H,21,25)
InChIKeyFPZZDUZKUZIFGF-UHFFFAOYSA-N
MW489.38 g/mol
LogP4.51
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide

N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide (PubChem CID 46393977) has the molecular formula C19H13BrN4O3S2 and a molecular weight of 489.38 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide
PubChem CID46393977
Molecular FormulaC19H13BrN4O3S2
Molecular Weight489.38 g/mol
Exact Mass487.96
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cccc2nsnc12)c1cccc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C19H13BrN4O3S2/c20-14-7-1-2-10-17(14)29(26,27)24-13-6-3-5-12(11-13)19(25)21-15-8-4-9-16-18(15)23-28-22-16/h1-11,24H,(H,21,25)
InChIKeyFPZZDUZKUZIFGF-UHFFFAOYSA-N
XLogP4.51
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-3-[(4-ethylphenyl)sulfonylamino]benzamide
CID 50837971
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512082
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
diethyl 5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzene-1,3-dicarboxylate
CID 22773021
N-[5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1,3-benzothiazol-2-yl]acetamide
CID 20971892
N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 1020106
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide (CID 46393977) is N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide is O=C(Nc1cccc2nsnc12)c1cccc(NS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide?
The InChIKey is FPZZDUZKUZIFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O3S2/c20-14-7-1-2-10-17(14)29(26,27)24-13-6-3-5-12(11-13)19(25)21-15-8-4-9-16-18(15)23-28-22-16/h1-11,24H,(H,21,25).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide?
N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide has a molecular weight of 489.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-3-[(2-bromophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46393977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).