N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide

C28H26ClN3O5S — CID 90418904

IUPACN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C28H26ClN3O5S/c1-37-24-18-20(31-38(35,36)25-10-4-6-19-7-5-15-30-26(19)25)11-12-21(24)27(33)32-16-13-28(34,14-17-32)22-8-2-3-9-23(22)29/h2-12,15,18,31,34H,13-14,16-17H2,1H3
InChIKeyTWVRLLNZVFNVRQ-UHFFFAOYSA-N
MW552.05 g/mol
LogP4.82
Rot. Bonds6

About N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide

N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide (PubChem CID 90418904) has the molecular formula C28H26ClN3O5S and a molecular weight of 552.05 g/mol. Its IUPAC name is N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
PubChem CID90418904
Molecular FormulaC28H26ClN3O5S
Molecular Weight552.05 g/mol
Exact Mass551.13
IUPAC NameN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C28H26ClN3O5S/c1-37-24-18-20(31-38(35,36)25-10-4-6-19-7-5-15-30-26(19)25)11-12-21(24)27(33)32-16-13-28(34,14-17-32)22-8-2-3-9-23(22)29/h2-12,15,18,31,34H,13-14,16-17H2,1H3
InChIKeyTWVRLLNZVFNVRQ-UHFFFAOYSA-N
XLogP4.82
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.05
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide (CID 90418904) is N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide is COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1.
What is the InChIKey of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide?
The InChIKey is TWVRLLNZVFNVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O5S/c1-37-24-18-20(31-38(35,36)25-10-4-6-19-7-5-15-30-26(19)25)11-12-21(24)27(33)32-16-13-28(34,14-17-32)22-8-2-3-9-23(22)29/h2-12,15,18,31,34H,13-14,16-17H2,1H3.
What are the key properties of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide?
N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide has a molecular weight of 552.05 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90418904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).