2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C25H27N3O2S — CID 20972046

IUPAC2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3n2CC)c1
InChIInChI=1S/C25H27N3O2S/c1-3-20-11-5-8-15-24(20)31(29,30)27-21-12-9-10-19(18-21)16-17-25-26-22-13-6-7-14-23(22)28(25)4-2/h5-15,18,27H,3-4,16-17H2,1-2H3
InChIKeyIDFMGHJCQQMKMK-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.20
Rot. Bonds8

About 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 20972046) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID20972046
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3n2CC)c1
InChIInChI=1S/C25H27N3O2S/c1-3-20-11-5-8-15-24(20)31(29,30)27-21-12-9-10-19(18-21)16-17-25-26-22-13-6-7-14-23(22)28(25)4-2/h5-15,18,27H,3-4,16-17H2,1-2H3
InChIKeyIDFMGHJCQQMKMK-UHFFFAOYSA-N
XLogP5.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 20972046) is 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is CCc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3n2CC)c1.
What is the InChIKey of 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is IDFMGHJCQQMKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-3-20-11-5-8-15-24(20)31(29,30)27-21-12-9-10-19(18-21)16-17-25-26-22-13-6-7-14-23(22)28(25)4-2/h5-15,18,27H,3-4,16-17H2,1-2H3.
What are the key properties of 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 433.58 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 20972046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).