2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide

C23H23N3O3S — CID 66757474

IUPAC2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccccc1)N2Cc1ccccc1
InChIInChI=1S/C23H23N3O3S/c24-23(27)19-11-13-21-18(15-19)12-14-22(26(21)16-17-7-3-1-4-8-17)25-30(28,29)20-9-5-2-6-10-20/h1-11,13,15,22,25H,12,14,16H2,(H2,24,27)
InChIKeyFALCZJFTNRBAEJ-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.04
Rot. Bonds6

About 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide

2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 66757474) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID66757474
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccccc1)N2Cc1ccccc1
InChIInChI=1S/C23H23N3O3S/c24-23(27)19-11-13-21-18(15-19)12-14-22(26(21)16-17-7-3-1-4-8-17)25-30(28,29)20-9-5-2-6-10-20/h1-11,13,15,22,25H,12,14,16H2,(H2,24,27)
InChIKeyFALCZJFTNRBAEJ-UHFFFAOYSA-N
XLogP3.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-benzyl-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinolin-2-yl]benzenesulfonamide
CID 90807408
1-benzyl-2-oxo-3H-indole-5-carboxamide
CID 122479775
1-benzyl-6-chloro-3,4-dihydro-2H-quinoline-2-carboxamide
CID 173155024
3-[[3-[(1-benzylpiperidin-4-yl)sulfamoyl]benzoyl]amino]benzamide
CID 142738850
1-[(1-benzyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-hydroxyurea
CID 19787308
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
(4aR)-3-benzyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxylic acid
CID 68803609
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
CID 90075277
3-[5-(benzenesulfonamido)-3-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-1,3-diazinan-1-yl]benzenecarboximidamide
CID 118548761
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid
CID 134349522

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 66757474) is 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide is NC(=O)c1ccc2c(c1)CCC(NS(=O)(=O)c1ccccc1)N2Cc1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is FALCZJFTNRBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c24-23(27)19-11-13-21-18(15-19)12-14-22(26(21)16-17-7-3-1-4-8-17)25-30(28,29)20-9-5-2-6-10-20/h1-11,13,15,22,25H,12,14,16H2,(H2,24,27).
What are the key properties of 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide?
2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-1-benzyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 66757474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).