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

C23H21N3O4S2 — CID 59008053

IUPACN-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O4S2/c1-24-32(29,30)22-6-4-3-5-19(22)17-10-13-20-21(15-17)26-23(25-20)14-9-16-7-11-18(12-8-16)31(2,27)28/h3-15,24H,1-2H3,(H,25,26)/b14-9+
InChIKeyJRVSZRCAYXVZIA-NTEUORMPSA-N
MW467.57 g/mol
LogP3.71
Rot. Bonds6

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

N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 59008053) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID59008053
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC NameN-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O4S2/c1-24-32(29,30)22-6-4-3-5-19(22)17-10-13-20-21(15-17)26-23(25-20)14-9-16-7-11-18(12-8-16)31(2,27)28/h3-15,24H,1-2H3,(H,25,26)/b14-9+
InChIKeyJRVSZRCAYXVZIA-NTEUORMPSA-N
XLogP3.71
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 59008053) is N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JRVSZRCAYXVZIA-NTEUORMPSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-24-32(29,30)22-6-4-3-5-19(22)17-10-13-20-21(15-17)26-23(25-20)14-9-16-7-11-18(12-8-16)31(2,27)28/h3-15,24H,1-2H3,(H,25,26)/b14-9+.
What are the key properties of N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 467.57 g/mol, XLogP of 3.71, 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-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 59008053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).