1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H20ClN3O3S — CID 17247998

IUPAC1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C22H20ClN3O3S/c23-19-7-5-17(6-8-19)22(27)26-12-2-4-18-13-20(9-10-21(18)26)30(28,29)25-15-16-3-1-11-24-14-16/h1,3,5-11,13-14,25H,2,4,12,15H2
InChIKeyFTLOONKTPGEVRO-UHFFFAOYSA-N
MW441.94 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17247998) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17247998
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC Name1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESO=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C22H20ClN3O3S/c23-19-7-5-17(6-8-19)22(27)26-12-2-4-18-13-20(9-10-21(18)26)30(28,29)25-15-16-3-1-11-24-14-16/h1,3,5-11,13-14,25H,2,4,12,15H2
InChIKeyFTLOONKTPGEVRO-UHFFFAOYSA-N
XLogP3.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092575
1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248027
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3-fluorobenzenesulfonamide
CID 53009040
1-(4-chlorobenzoyl)-N-(2-ethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248009
1-benzoyl-N-(2-phenylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247792
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 52905682
1-(4-chlorobenzoyl)-N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248022
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
CID 17248041

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17247998) is 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)NCc3cccnc3)ccc21.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is FTLOONKTPGEVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c23-19-7-5-17(6-8-19)22(27)26-12-2-4-18-13-20(9-10-21(18)26)30(28,29)25-15-16-3-1-11-24-14-16/h1,3,5-11,13-14,25H,2,4,12,15H2.
What are the key properties of 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 441.94 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17247998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).