2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide

C24H30N2O2S — CID 1069411

IUPAC2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc3cccnc23)c(C(C)C)c1
InChIInChI=1S/C24H30N2O2S/c1-15(2)19-13-20(16(3)4)24(21(14-19)17(5)6)29(27,28)26-22-11-7-9-18-10-8-12-25-23(18)22/h7-17,26H,1-6H3
InChIKeyFTVVWDGOAFUJEM-UHFFFAOYSA-N
MW410.58 g/mol
LogP6.41
Rot. Bonds6

About 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide

2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 1069411) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide
PubChem CID1069411
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc3cccnc23)c(C(C)C)c1
InChIInChI=1S/C24H30N2O2S/c1-15(2)19-13-20(16(3)4)24(21(14-19)17(5)6)29(27,28)26-22-11-7-9-18-10-8-12-25-23(18)22/h7-17,26H,1-6H3
InChIKeyFTVVWDGOAFUJEM-UHFFFAOYSA-N
XLogP6.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide (CID 1069411) is 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc3cccnc23)c(C(C)C)c1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is FTVVWDGOAFUJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-15(2)19-13-20(16(3)4)24(21(14-19)17(5)6)29(27,28)26-22-11-7-9-18-10-8-12-25-23(18)22/h7-17,26H,1-6H3.
What are the key properties of 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide?
2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 410.58 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 1069411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).