N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide

C23H23N3O2S — CID 50822907

IUPACN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-17-10-13-20(14-11-17)29(27,28)26-19-7-5-6-18(16-19)12-15-23-24-21-8-3-4-9-22(21)25-23/h3-11,13-14,16,26H,2,12,15H2,1H3,(H,24,25)
InChIKeyHJWXTWGDRWHKIS-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.71
Rot. Bonds7

About N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide (PubChem CID 50822907) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
PubChem CID50822907
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-17-10-13-20(14-11-17)29(27,28)26-19-7-5-6-18(16-19)12-15-23-24-21-8-3-4-9-22(21)25-23/h3-11,13-14,16,26H,2,12,15H2,1H3,(H,24,25)
InChIKeyHJWXTWGDRWHKIS-UHFFFAOYSA-N
XLogP4.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
CID 46379462
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide
CID 46379478
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 46379463
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
CID 3844150
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774
3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride
CID 43829289
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 18105180

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide (CID 50822907) is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide?
The InChIKey is HJWXTWGDRWHKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-17-10-13-20(14-11-17)29(27,28)26-19-7-5-6-18(16-19)12-15-23-24-21-8-3-4-9-22(21)25-23/h3-11,13-14,16,26H,2,12,15H2,1H3,(H,24,25).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide?
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 50822907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).