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

C22H20ClN3O2S — CID 24758473

IUPACN-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C22H20ClN3O2S/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/h2-7,9-12,14,26H,8,13H2,1H3,(H,24,25)
InChIKeyWDMCUOVVNZAHRD-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.04
Rot. Bonds6

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

N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 24758473) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID24758473
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C22H20ClN3O2S/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/h2-7,9-12,14,26H,8,13H2,1H3,(H,24,25)
InChIKeyWDMCUOVVNZAHRD-UHFFFAOYSA-N
XLogP5.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 161445638
N-[4-[2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide;N-[4-[2-[6-[2-(methanesulfonamido)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 160889727
N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 59008002
2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 159756757
N-[4-[2-[6-[2-(methanesulfonamido)phenyl]-1H-benzimidazol-2-yl]ethyl]-6-methylcyclohexa-1,3-dien-1-yl]methanesulfonamide
CID 70849211
1,1,1-trifluoro-N-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 58381163
1,1,1-trifluoro-N-[2-[2-[2-[4-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 53345445
2-[2-[2-(3-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53345760
N-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 24759589
2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
CID 4080442
4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 145173276
N-[2-[2-[2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 67165005

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 24758473) is N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is WDMCUOVVNZAHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/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/h2-7,9-12,14,26H,8,13H2,1H3,(H,24,25).
What are the key properties of N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 24758473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).