1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide

C22H20ClN3O3S — CID 52905682

IUPAC1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
SMILESO=C(c1cccnc1)N1CCCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H20ClN3O3S/c23-19-7-5-16(6-8-19)15-30(28,29)25-20-9-10-21-17(13-20)4-2-12-26(21)22(27)18-3-1-11-24-14-18/h1,3,5-11,13-14,25H,2,4,12,15H2
InChIKeyIXAZWMAJXSWBAI-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide

1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide (PubChem CID 52905682) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
PubChem CID52905682
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC Name1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
SMILESO=C(c1cccnc1)N1CCCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H20ClN3O3S/c23-19-7-5-16(6-8-19)15-30(28,29)25-20-9-10-21-17(13-20)4-2-12-26(21)22(27)18-3-1-11-24-14-18/h1,3,5-11,13-14,25H,2,4,12,15H2
InChIKeyIXAZWMAJXSWBAI-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 43955695
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
1-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247998
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248027
N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
CID 110303760
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 42064977
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3-methoxyphenyl)methanesulfonamide
CID 43990206
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-(3,4-dimethoxyphenyl)methanesulfonamide
CID 43990209

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide (CID 52905682) is 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide is O=C(c1cccnc1)N1CCCc2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
The InChIKey is IXAZWMAJXSWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c23-19-7-5-16(6-8-19)15-30(28,29)25-20-9-10-21-17(13-20)4-2-12-26(21)22(27)18-3-1-11-24-14-18/h1,3,5-11,13-14,25H,2,4,12,15H2.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide?
1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide has a molecular weight of 441.94 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 52905682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).