3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline

C24H23NO4S2 — CID 102154242

IUPAC3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline
SMILESCc1ccc(S(=O)(=O)CC2Nc3ccccc3C=C2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO4S2/c1-17-7-11-20(12-8-17)30(26,27)16-23-24(15-19-5-3-4-6-22(19)25-23)31(28,29)21-13-9-18(2)10-14-21/h3-15,23,25H,16H2,1-2H3
InChIKeyDAPQUHUYNICKLV-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.39
Rot. Bonds5

About 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline

3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline (PubChem CID 102154242) has the molecular formula C24H23NO4S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline
PubChem CID102154242
Molecular FormulaC24H23NO4S2
Molecular Weight453.59 g/mol
Exact Mass453.11
IUPAC Name3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline
SMILESCc1ccc(S(=O)(=O)CC2Nc3ccccc3C=C2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO4S2/c1-17-7-11-20(12-8-17)30(26,27)16-23-24(15-19-5-3-4-6-22(19)25-23)31(28,29)21-13-9-18(2)10-14-21/h3-15,23,25H,16H2,1-2H3
InChIKeyDAPQUHUYNICKLV-UHFFFAOYSA-N
XLogP4.39
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline (CID 102154242) is 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline is Cc1ccc(S(=O)(=O)CC2Nc3ccccc3C=C2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline?
The InChIKey is DAPQUHUYNICKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S2/c1-17-7-11-20(12-8-17)30(26,27)16-23-24(15-19-5-3-4-6-22(19)25-23)31(28,29)21-13-9-18(2)10-14-21/h3-15,23,25H,16H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline?
3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline has a molecular weight of 453.59 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-2-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydroquinoline is sourced from PubChem (CID 102154242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).