N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide

C19H14BrN3O2S — CID 100580950

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrN3O2S/c20-14-8-10-16(11-9-14)26(24,25)23-15-5-3-4-13(12-15)19-21-17-6-1-2-7-18(17)22-19/h1-12,23H,(H,21,22)
InChIKeyPENJJNHWJAAYOE-UHFFFAOYSA-N
MW428.31 g/mol
LogP4.79
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide (PubChem CID 100580950) has the molecular formula C19H14BrN3O2S and a molecular weight of 428.31 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide
PubChem CID100580950
Molecular FormulaC19H14BrN3O2S
Molecular Weight428.31 g/mol
Exact Mass427.00
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrN3O2S/c20-14-8-10-16(11-9-14)26(24,25)23-15-5-3-4-13(12-15)19-21-17-6-1-2-7-18(17)22-19/h1-12,23H,(H,21,22)
InChIKeyPENJJNHWJAAYOE-UHFFFAOYSA-N
XLogP4.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzenesulfonamide
CID 75454348
2-(benzenesulfonamido)-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
CID 121040702
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
N-(1H-benzimidazol-2-yl)-4-[(4-bromophenyl)sulfonylamino]benzamide
CID 35808303
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
4-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 55826465
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 27649646

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide (CID 100580950) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide is O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide?
The InChIKey is PENJJNHWJAAYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2S/c20-14-8-10-16(11-9-14)26(24,25)23-15-5-3-4-13(12-15)19-21-17-6-1-2-7-18(17)22-19/h1-12,23H,(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide has a molecular weight of 428.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide is sourced from PubChem (CID 100580950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).