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

C23H23N3O2S — CID 46379478

IUPACN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H23N3O2S/c1-2-18-9-3-6-13-22(18)29(27,28)26-19-10-7-8-17(16-19)14-15-23-24-20-11-4-5-12-21(20)25-23/h3-13,16,26H,2,14-15H2,1H3,(H,24,25)
InChIKeyNCSVGPNMPOMKEV-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.71
Rot. Bonds7

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

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide (PubChem CID 46379478) 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]-2-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide
PubChem CID46379478
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H23N3O2S/c1-2-18-9-3-6-13-22(18)29(27,28)26-19-10-7-8-17(16-19)14-15-23-24-20-11-4-5-12-21(20)25-23/h3-13,16,26H,2,14-15H2,1H3,(H,24,25)
InChIKeyNCSVGPNMPOMKEV-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-ethylbenzenesulfonamide
CID 50822907
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
CID 46379462
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
3-[2-(1H-benzimidazol-2-yl)ethyl]aniline chloride
CID 43829289
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
1-(1H-benzimidazol-2-ylmethyl)-3-(3-ethylphenyl)urea
CID 3844150
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 46290554
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide (CID 46379478) is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide is CCc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide?
The InChIKey is NCSVGPNMPOMKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-18-9-3-6-13-22(18)29(27,28)26-19-10-7-8-17(16-19)14-15-23-24-20-11-4-5-12-21(20)25-23/h3-13,16,26H,2,14-15H2,1H3,(H,24,25).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethylbenzenesulfonamide?
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-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]-2-ethylbenzenesulfonamide is sourced from PubChem (CID 46379478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).