1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C30H28N2O3S — CID 17247846

IUPAC1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21
InChIInChI=1S/C30H28N2O3S/c33-30(26-15-8-3-9-16-26)32-20-10-17-27-21-28(18-19-29(27)32)36(34,35)31(22-24-11-4-1-5-12-24)23-25-13-6-2-7-14-25/h1-9,11-16,18-19,21H,10,17,20,22-23H2
InChIKeyWJYAPQSFJDYUNH-UHFFFAOYSA-N
MW496.63 g/mol
LogP5.67
Rot. Bonds7

About 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17247846) has the molecular formula C30H28N2O3S and a molecular weight of 496.63 g/mol. Its IUPAC name is 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17247846
Molecular FormulaC30H28N2O3S
Molecular Weight496.63 g/mol
Exact Mass496.18
IUPAC Name1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21
InChIInChI=1S/C30H28N2O3S/c33-30(26-15-8-3-9-16-26)32-20-10-17-27-21-28(18-19-29(27)32)36(34,35)31(22-24-11-4-1-5-12-24)23-25-13-6-2-7-14-25/h1-9,11-16,18-19,21H,10,17,20,22-23H2
InChIKeyWJYAPQSFJDYUNH-UHFFFAOYSA-N
XLogP5.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247947
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792
1-benzoyl-N-phenyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247797
N,N-diethyl-1-(3-methylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435425
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-sulfonamide;N-benzyl-1-phenylmethanamine
CID 158402644
[4-(benzenesulfonylmethyl)phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873828
N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 60560523
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
1-acetyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55988635
methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
CID 55871968
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
1-benzoyl-N-(3-bromophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247816

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17247846) is 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21.
What is the InChIKey of 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is WJYAPQSFJDYUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3S/c33-30(26-15-8-3-9-16-26)32-20-10-17-27-21-28(18-19-29(27)32)36(34,35)31(22-24-11-4-1-5-12-24)23-25-13-6-2-7-14-25/h1-9,11-16,18-19,21H,10,17,20,22-23H2.
What are the key properties of 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 496.63 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N,N-dibenzyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17247846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).