1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline

C24H22ClNO4S — CID 20613784

IUPAC1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline
SMILESCOC(OC)c1ccc(C2C=Cc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClNO4S/c1-29-24(30-2)19-9-7-18(8-10-19)23-16-11-17-5-3-4-6-22(17)26(23)31(27,28)21-14-12-20(25)13-15-21/h3-16,23-24H,1-2H3
InChIKeyWWEKWEQKLBDXSZ-UHFFFAOYSA-N
MW455.96 g/mol
LogP5.59
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline

1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline (PubChem CID 20613784) has the molecular formula C24H22ClNO4S and a molecular weight of 455.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline
PubChem CID20613784
Molecular FormulaC24H22ClNO4S
Molecular Weight455.96 g/mol
Exact Mass455.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline
SMILESCOC(OC)c1ccc(C2C=Cc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClNO4S/c1-29-24(30-2)19-9-7-18(8-10-19)23-16-11-17-5-3-4-6-22(17)26(23)31(27,28)21-14-12-20(25)13-15-21/h3-16,23-24H,1-2H3
InChIKeyWWEKWEQKLBDXSZ-UHFFFAOYSA-N
XLogP5.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.96
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
CID 10618601
2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
CID 10685557
6,7-dimethoxy-1-methylsulfonyl-2-phenyl-2H-quinoline
CID 101465786
methyl (2S)-2-[(2R)-2-(3-chlorophenyl)-2H-quinolin-1-yl]-2-phenylacetate
CID 140977987
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141035
(4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6976078
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
CID 172633432
5-(4-chlorophenyl)sulfonyl-4-propan-2-yl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 24864886
ethyl (2E)-2-[(4aS)-3-(4-methylphenyl)sulfonyl-1-phenyl-4aH-pyrazino[1,2-a]quinolin-4-ylidene]acetate
CID 166558446

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline (CID 20613784) is 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline is COC(OC)c1ccc(C2C=Cc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline?
The InChIKey is WWEKWEQKLBDXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4S/c1-29-24(30-2)19-9-7-18(8-10-19)23-16-11-17-5-3-4-6-22(17)26(23)31(27,28)21-14-12-20(25)13-15-21/h3-16,23-24H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline?
1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline has a molecular weight of 455.96 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline is sourced from PubChem (CID 20613784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).