N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C22H18ClN3O2S — CID 24759484

IUPACN-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C22H18ClN3O2S/c1-29(27,28)26-19-5-3-2-4-18(19)16-9-12-20-21(14-16)25-22(24-20)13-8-15-6-10-17(23)11-7-15/h2-14,26H,1H3,(H,24,25)/b13-8+
InChIKeyWFXDLMXRMQDIGV-MDWZMJQESA-N
MW423.93 g/mol
LogP5.43
Rot. Bonds5

About N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 24759484) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID24759484
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC NameN-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C22H18ClN3O2S/c1-29(27,28)26-19-5-3-2-4-18(19)16-9-12-20-21(14-16)25-22(24-20)13-8-15-6-10-17(23)11-7-15/h2-14,26H,1H3,(H,24,25)/b13-8+
InChIKeyWFXDLMXRMQDIGV-MDWZMJQESA-N
XLogP5.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.93
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 24759484) is N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is WFXDLMXRMQDIGV-MDWZMJQESA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c1-29(27,28)26-19-5-3-2-4-18(19)16-9-12-20-21(14-16)25-22(24-20)13-8-15-6-10-17(23)11-7-15/h2-14,26H,1H3,(H,24,25)/b13-8+.
What are the key properties of N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 423.93 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 24759484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).