N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide

C20H15BrN4O3S — CID 166201051

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C20H15BrN4O3S/c21-16-10-9-14(29(22,27)28)11-15(16)20(26)23-13-7-5-12(6-8-13)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyYSARZHWBQXXHCV-UHFFFAOYSA-N
MW471.34 g/mol
LogP3.89
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide (PubChem CID 166201051) has the molecular formula C20H15BrN4O3S and a molecular weight of 471.34 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide
PubChem CID166201051
Molecular FormulaC20H15BrN4O3S
Molecular Weight471.34 g/mol
Exact Mass470.00
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C20H15BrN4O3S/c21-16-10-9-14(29(22,27)28)11-15(16)20(26)23-13-7-5-12(6-8-13)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyYSARZHWBQXXHCV-UHFFFAOYSA-N
XLogP3.89
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
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CID 46823373
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
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N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39088716
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
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N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789530
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide (CID 166201051) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide?
The InChIKey is YSARZHWBQXXHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3S/c21-16-10-9-14(29(22,27)28)11-15(16)20(26)23-13-7-5-12(6-8-13)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)(H2,22,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide has a molecular weight of 471.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide is sourced from PubChem (CID 166201051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).