4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide

C25H19N3O2S — CID 101078603

IUPAC4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(-c2nc3ccccc3[nH]2)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19N3O2S/c29-31(30,28(20-9-3-1-4-10-20)21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)27-25/h1-18H,(H,26,27)
InChIKeyUUEGEKIFGJSUCF-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.76
Rot. Bonds5

About 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide

4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide (PubChem CID 101078603) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide
PubChem CID101078603
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC Name4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(-c2nc3ccccc3[nH]2)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19N3O2S/c29-31(30,28(20-9-3-1-4-10-20)21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)27-25/h1-18H,(H,26,27)
InChIKeyUUEGEKIFGJSUCF-UHFFFAOYSA-N
XLogP5.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide (CID 101078603) is 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide is O=S(=O)(c1ccc(-c2nc3ccccc3[nH]2)cc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide?
The InChIKey is UUEGEKIFGJSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c29-31(30,28(20-9-3-1-4-10-20)21-11-5-2-6-12-21)22-17-15-19(16-18-22)25-26-23-13-7-8-14-24(23)27-25/h1-18H,(H,26,27).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide?
4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N,N-diphenylbenzenesulfonamide is sourced from PubChem (CID 101078603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).