N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

C24H27N3O4S — CID 90447525

IUPACN-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESCC(C)C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C24H27N3O4S/c1-17(2)24(29)12-15-27(16-13-24)23(28)19-8-10-20(11-9-19)26-32(30,31)21-7-3-5-18-6-4-14-25-22(18)21/h3-11,14,17,26,29H,12-13,15-16H2,1-2H3
InChIKeyBYEYEFMWBRHGRS-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (PubChem CID 90447525) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
PubChem CID90447525
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESCC(C)C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C24H27N3O4S/c1-17(2)24(29)12-15-27(16-13-24)23(28)19-8-10-20(11-9-19)26-32(30,31)21-7-3-5-18-6-4-14-25-22(18)21/h3-11,14,17,26,29H,12-13,15-16H2,1-2H3
InChIKeyBYEYEFMWBRHGRS-UHFFFAOYSA-N
XLogP3.66
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (CID 90447525) is N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is CC(C)C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is BYEYEFMWBRHGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-17(2)24(29)12-15-27(16-13-24)23(28)19-8-10-20(11-9-19)26-32(30,31)21-7-3-5-18-6-4-14-25-22(18)21/h3-11,14,17,26,29H,12-13,15-16H2,1-2H3.
What are the key properties of N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 453.56 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-4-propan-2-ylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90447525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).