N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide

C20H22N2O3S — CID 1225847

IUPACN-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H22N2O3S/c1-20(2,3)15-10-11-17(25-4)16(13-15)22-26(23,24)18-9-5-7-14-8-6-12-21-19(14)18/h5-13,22H,1-4H3
InChIKeySFFQWCNNOBSSAJ-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.34
Rot. Bonds4

About N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide

N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide (PubChem CID 1225847) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide
PubChem CID1225847
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H22N2O3S/c1-20(2,3)15-10-11-17(25-4)16(13-15)22-26(23,24)18-9-5-7-14-8-6-12-21-19(14)18/h5-13,22H,1-4H3
InChIKeySFFQWCNNOBSSAJ-UHFFFAOYSA-N
XLogP4.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide (CID 1225847) is N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide is COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide?
The InChIKey is SFFQWCNNOBSSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-20(2,3)15-10-11-17(25-4)16(13-15)22-26(23,24)18-9-5-7-14-8-6-12-21-19(14)18/h5-13,22H,1-4H3.
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide?
N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 1225847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).