N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide

C27H27N3O3S — CID 169225092

IUPACN-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(O)(c4ccccc4)CC3)c3cccnc23)cc1
InChIInChI=1S/C27H27N3O3S/c1-20-9-11-22(12-10-20)34(32,33)29-24-13-14-25(23-8-5-17-28-26(23)24)30-18-15-27(31,16-19-30)21-6-3-2-4-7-21/h2-14,17,29,31H,15-16,18-19H2,1H3
InChIKeyLRQJZOFERWQIJA-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.83
Rot. Bonds5

About N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide

N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 169225092) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
PubChem CID169225092
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC NameN-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(O)(c4ccccc4)CC3)c3cccnc23)cc1
InChIInChI=1S/C27H27N3O3S/c1-20-9-11-22(12-10-20)34(32,33)29-24-13-14-25(23-8-5-17-28-26(23)24)30-18-15-27(31,16-19-30)21-6-3-2-4-7-21/h2-14,17,29,31H,15-16,18-19H2,1H3
InChIKeyLRQJZOFERWQIJA-UHFFFAOYSA-N
XLogP4.83
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 175932941
N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
3-[(4-methylphenyl)sulfonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46291882
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 95811440
N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide
CID 102264141
4-phenyl-1-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]piperidin-4-ol
CID 121400732
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936
4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056795
N-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide
CID 2318680

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide (CID 169225092) is N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(O)(c4ccccc4)CC3)c3cccnc23)cc1.
What is the InChIKey of N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is LRQJZOFERWQIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-20-9-11-22(12-10-20)34(32,33)29-24-13-14-25(23-8-5-17-28-26(23)24)30-18-15-27(31,16-19-30)21-6-3-2-4-7-21/h2-14,17,29,31H,15-16,18-19H2,1H3.
What are the key properties of N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 473.60 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169225092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).