N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C23H18F3N3O4S2 — CID 67165114

IUPACN-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H18F3N3O4S2/c1-27-35(32,33)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)34(30,31)23(24,25)26/h2-14,27H,1H3,(H,28,29)
InChIKeyHNWYCOMISLINMK-UHFFFAOYSA-N
MW521.54 g/mol
LogP4.60
Rot. Bonds6

About N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 67165114) has the molecular formula C23H18F3N3O4S2 and a molecular weight of 521.54 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID67165114
Molecular FormulaC23H18F3N3O4S2
Molecular Weight521.54 g/mol
Exact Mass521.07
IUPAC NameN-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H18F3N3O4S2/c1-27-35(32,33)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)34(30,31)23(24,25)26/h2-14,27H,1H3,(H,28,29)
InChIKeyHNWYCOMISLINMK-UHFFFAOYSA-N
XLogP4.60
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.54
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 67165114) is N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is HNWYCOMISLINMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4S2/c1-27-35(32,33)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)34(30,31)23(24,25)26/h2-14,27H,1H3,(H,28,29).
What are the key properties of N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 521.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67165114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).