N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide

C27H24ClN3O3S — CID 90447675

IUPACN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide
SMILESO=C(c1ccc(NS(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C27H24ClN3O3S/c28-23-8-2-1-7-22(23)27(33)14-17-31(18-15-27)26(32)20-10-12-21(13-11-20)30-35(34)24-9-3-5-19-6-4-16-29-25(19)24/h1-13,16,30,33H,14-15,17-18H2
InChIKeyGJASIGIJGVHBMC-UHFFFAOYSA-N
MW506.03 g/mol
LogP5.15
Rot. Bonds5

About N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide

N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide (PubChem CID 90447675) has the molecular formula C27H24ClN3O3S and a molecular weight of 506.03 g/mol. Its IUPAC name is N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide.

Molecular Properties

Compound NameN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide
PubChem CID90447675
Molecular FormulaC27H24ClN3O3S
Molecular Weight506.03 g/mol
Exact Mass505.12
IUPAC NameN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide
SMILESO=C(c1ccc(NS(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C27H24ClN3O3S/c28-23-8-2-1-7-22(23)27(33)14-17-31(18-15-27)26(32)20-10-12-21(13-11-20)30-35(34)24-9-3-5-19-6-4-16-29-25(19)24/h1-13,16,30,33H,14-15,17-18H2
InChIKeyGJASIGIJGVHBMC-UHFFFAOYSA-N
XLogP5.15
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.03
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide?
The IUPAC name of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide (CID 90447675) is N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide.
What is the SMILES notation for N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide?
The canonical SMILES for N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide is O=C(c1ccc(NS(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1.
What is the InChIKey of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide?
The InChIKey is GJASIGIJGVHBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O3S/c28-23-8-2-1-7-22(23)27(33)14-17-31(18-15-27)26(32)20-10-12-21(13-11-20)30-35(34)24-9-3-5-19-6-4-16-29-25(19)24/h1-13,16,30,33H,14-15,17-18H2.
What are the key properties of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide?
N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide has a molecular weight of 506.03 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide is sourced from PubChem (CID 90447675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).