N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide

C24H23N3O3S — CID 59007879

IUPACN-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
SMILESCC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C24H23N3O3S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30/h3-16,27-28H,1-2H3,(H,25,26)/b14-9+
InChIKeyKTSVYQDKJCKWFA-NTEUORMPSA-N
MW433.53 g/mol
LogP4.83
Rot. Bonds6

About N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide

N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide (PubChem CID 59007879) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
PubChem CID59007879
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
SMILESCC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C24H23N3O3S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30/h3-16,27-28H,1-2H3,(H,25,26)/b14-9+
InChIKeyKTSVYQDKJCKWFA-NTEUORMPSA-N
XLogP4.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
CID 59008020
N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 59008002
1-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 123699929
N-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 24759589
N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 67165005
N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 53341464
1-[2-[2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 67165444
N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 58381560
1-[2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 91021143
1-[2-[2-[(E)-2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 24758120
N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008053
2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 24759485

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide (CID 59007879) is N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide is CC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide?
The InChIKey is KTSVYQDKJCKWFA-NTEUORMPSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30/h3-16,27-28H,1-2H3,(H,25,26)/b14-9+.
What are the key properties of N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide?
N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 59007879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).