N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide

C25H25N3O3S — CID 44530125

IUPACN-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide
SMILESCN(CCO)Cc1ccc(-c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-28(16-17-29)18-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27-32(30,31)24-6-2-4-22-5-3-15-26-25(22)24/h2-15,27,29H,16-18H2,1H3
InChIKeyMJWQCWYZIDPTPZ-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.13
Rot. Bonds8

About N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide

N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide (PubChem CID 44530125) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide
PubChem CID44530125
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide
SMILESCN(CCO)Cc1ccc(-c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C25H25N3O3S/c1-28(16-17-29)18-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27-32(30,31)24-6-2-4-22-5-3-15-26-25(22)24/h2-15,27,29H,16-18H2,1H3
InChIKeyMJWQCWYZIDPTPZ-UHFFFAOYSA-N
XLogP4.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide (CID 44530125) is N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide is CN(CCO)Cc1ccc(-c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1.
What is the InChIKey of N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is MJWQCWYZIDPTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-28(16-17-29)18-19-7-9-20(10-8-19)21-11-13-23(14-12-21)27-32(30,31)24-6-2-4-22-5-3-15-26-25(22)24/h2-15,27,29H,16-18H2,1H3.
What are the key properties of N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide?
N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 447.56 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 44530125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).