N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride

C27H26ClN5O2S — CID 11620589

About N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride

N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 11620589) has the molecular formula C27H26ClN5O2S and a molecular weight of 520.06 g/mol. Its IUPAC name is N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride
• PubChem CID: 11620589
• Molecular Formula: C27H26ClN5O2S
• Molecular Weight: 520.06 g/mol
• Exact Mass: 519.15
• IUPAC Name: N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride
• SMILES: Cl.N#Cc1ccc2c(c1)CC(N(Cc1ccccc1)S(=O)(=O)c1ccccc1)CN2Cc1cnc[nH]1
• InChI: InChI=1S/C27H25N5O2S.ClH/c28-15-22-11-12-27-23(13-22)14-25(19-31(27)18-24-16-29-20-30-24)32(17-21-7-3-1-4-8-21)35(33,34)26-9-5-2-6-10-26;/h1-13,16,20,25H,14,17-19H2,(H,29,30);1H
• InChIKey: AMSUEXILRBASSB-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 93.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.06
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride?

The IUPAC name of N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride (CID 11620589) is N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride.

What is the SMILES notation for N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride?

The canonical SMILES for N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride is Cl.N#Cc1ccc2c(c1)CC(N(Cc1ccccc1)S(=O)(=O)c1ccccc1)CN2Cc1cnc[nH]1.

What is the InChIKey of N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride?

The InChIKey is AMSUEXILRBASSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S.ClH/c28-15-22-11-12-27-23(13-22)14-25(19-31(27)18-24-16-29-20-30-24)32(17-21-7-3-1-4-8-21)35(33,34)26-9-5-2-6-10-26;/h1-13,16,20,25H,14,17-19H2,(H,29,30);1H.

What are the key properties of N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride?

N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 520.06 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[6-cyano-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 11620589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).