N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine

C23H19ClN2O3S — CID 18560452

IUPACN-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1
InChIInChI=1S/C23H19ClN2O3S/c1-29-18-9-12-21-20(13-18)23(26-14-16-5-3-2-4-6-16)22(15-25-21)30(27,28)19-10-7-17(24)8-11-19/h2-13,15H,14H2,1H3,(H,25,26)
InChIKeyWVEHBHISLMRUFS-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.34
Rot. Bonds6

About N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine

N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine (PubChem CID 18560452) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
PubChem CID18560452
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC NameN-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
SMILESCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1
InChIInChI=1S/C23H19ClN2O3S/c1-29-18-9-12-21-20(13-18)23(26-14-16-5-3-2-4-6-16)22(15-25-21)30(27,28)19-10-7-17(24)8-11-19/h2-13,15H,14H2,1H3,(H,25,26)
InChIKeyWVEHBHISLMRUFS-UHFFFAOYSA-N
XLogP5.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
N-benzyl-6-ethoxy-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590209
3-(4-chlorophenyl)sulfonyl-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 18560146
4-[(4-chlorophenyl)methylsulfanyl]-3-(4-chlorophenyl)sulfonyl-6-methoxyquinoline
CID 22425090
3-(4-chlorophenyl)sulfonyl-N-(3-methoxyphenyl)-6-methylquinolin-4-amine
CID 18590226
3-(benzenesulfonyl)-6-ethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 18560475
4-chloro-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinoline
CID 56923475
4-chloro-3-(3-fluoro-4-methylphenyl)sulfonyl-6-methoxyquinoline
CID 91895097
6-methoxy-N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 146080934
3-(4-chlorophenyl)sulfonyl-6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline
CID 18560130
6-fluoro-N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18590831
3-(benzenesulfonyl)-6-methoxy-N-[(4-methylphenyl)methyl]quinolin-1-ium-4-amine
CID 7184675

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine?
The IUPAC name of N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine (CID 18560452) is N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine?
The canonical SMILES for N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine is COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine?
The InChIKey is WVEHBHISLMRUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-29-18-9-12-21-20(13-18)23(26-14-16-5-3-2-4-6-16)22(15-25-21)30(27,28)19-10-7-17(24)8-11-19/h2-13,15H,14H2,1H3,(H,25,26).
What are the key properties of N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine?
N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine has a molecular weight of 438.94 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine is sourced from PubChem (CID 18560452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).