N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C27H25N3O5S — CID 86297481

IUPACN-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2O)CC1
InChIInChI=1S/C27H25N3O5S/c31-23-8-2-1-7-22(23)27(33)14-17-30(18-15-27)26(32)20-10-12-21(13-11-20)29-36(34,35)24-9-3-5-19-6-4-16-28-25(19)24/h1-13,16,29,31,33H,14-15,17-18H2
InChIKeyWBGPBQNWWGXBIB-UHFFFAOYSA-N
MW503.58 g/mol
LogP3.87
Rot. Bonds5

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

N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 86297481) has the molecular formula C27H25N3O5S and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID86297481
Molecular FormulaC27H25N3O5S
Molecular Weight503.58 g/mol
Exact Mass503.15
IUPAC NameN-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2O)CC1
InChIInChI=1S/C27H25N3O5S/c31-23-8-2-1-7-22(23)27(33)14-17-30(18-15-27)26(32)20-10-12-21(13-11-20)29-36(34,35)24-9-3-5-19-6-4-16-28-25(19)24/h1-13,16,29,31,33H,14-15,17-18H2
InChIKeyWBGPBQNWWGXBIB-UHFFFAOYSA-N
XLogP3.87
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 86297481) is N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2O)CC1.
What is the InChIKey of N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is WBGPBQNWWGXBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5S/c31-23-8-2-1-7-22(23)27(33)14-17-30(18-15-27)26(32)20-10-12-21(13-11-20)29-36(34,35)24-9-3-5-19-6-4-16-28-25(19)24/h1-13,16,29,31,33H,14-15,17-18H2.
What are the key properties of N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 503.58 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-hydroxy-4-(2-hydroxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 86297481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).