N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide

C20H15BrN4O3S — CID 27649646

IUPACN-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H15BrN4O3S/c21-14-8-10-15(11-9-14)25-29(27,28)16-5-3-4-13(12-16)19(26)24-20-22-17-6-1-2-7-18(17)23-20/h1-12,25H,(H2,22,23,24,26)
InChIKeyDEBRTWMKDAFWOM-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.38
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide

N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide (PubChem CID 27649646) has the molecular formula C20H15BrN4O3S and a molecular weight of 471.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
PubChem CID27649646
Molecular FormulaC20H15BrN4O3S
Molecular Weight471.34 g/mol
Exact Mass470.00
IUPAC NameN-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H15BrN4O3S/c21-14-8-10-15(11-9-14)25-29(27,28)16-5-3-4-13(12-16)19(26)24-20-22-17-6-1-2-7-18(17)23-20/h1-12,25H,(H2,22,23,24,26)
InChIKeyDEBRTWMKDAFWOM-UHFFFAOYSA-N
XLogP4.38
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
N-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)sulfonylamino]benzamide
CID 35808303
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 24539531
N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 27649737
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 75857074
3-[(4-bromophenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370201

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide (CID 27649646) is N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide is O=C(Nc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
The InChIKey is DEBRTWMKDAFWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3S/c21-14-8-10-15(11-9-14)25-29(27,28)16-5-3-4-13(12-16)19(26)24-20-22-17-6-1-2-7-18(17)23-20/h1-12,25H,(H2,22,23,24,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide?
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide has a molecular weight of 471.34 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27649646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).