4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C24H25N3O3S — CID 20972147

IUPAC4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H25N3O3S/c1-3-30-20-10-12-21(13-11-20)31(28,29)27-19-8-5-18(6-9-19)7-15-24-25-22-14-4-17(2)16-23(22)26-24/h4-6,8-14,16,27H,3,7,15H2,1-2H3,(H,25,26)
InChIKeyBSCZWNDIMKUFDQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.86
Rot. Bonds8

About 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 20972147) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID20972147
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H25N3O3S/c1-3-30-20-10-12-21(13-11-20)31(28,29)27-19-8-5-18(6-9-19)7-15-24-25-22-14-4-17(2)16-23(22)26-24/h4-6,8-14,16,27H,3,7,15H2,1-2H3,(H,25,26)
InChIKeyBSCZWNDIMKUFDQ-UHFFFAOYSA-N
XLogP4.86
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide
CID 46379509
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
CID 50825327
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730
N-(4-methoxyphenyl)-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
CID 2106393
4-methyl-N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 169371979
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 20972147) is 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccc(C)cc4[nH]3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is BSCZWNDIMKUFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-3-30-20-10-12-21(13-11-20)31(28,29)27-19-8-5-18(6-9-19)7-15-24-25-22-14-4-17(2)16-23(22)26-24/h4-6,8-14,16,27H,3,7,15H2,1-2H3,(H,25,26).
What are the key properties of 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 20972147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).