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

C28H23ClF3N3O5S — CID 90419010

IUPACN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1OC(F)(F)F)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C28H23ClF3N3O5S/c29-22-8-2-1-7-21(22)27(37)12-15-35(16-13-27)26(36)20-11-10-19(17-23(20)40-28(30,31)32)34-41(38,39)24-9-3-5-18-6-4-14-33-25(18)24/h1-11,14,17,34,37H,12-13,15-16H2
InChIKeyBFSCUKOYZWXUEV-UHFFFAOYSA-N
MW606.02 g/mol
LogP5.71
Rot. Bonds6

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

N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide (PubChem CID 90419010) has the molecular formula C28H23ClF3N3O5S and a molecular weight of 606.02 g/mol. Its IUPAC name is N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
PubChem CID90419010
Molecular FormulaC28H23ClF3N3O5S
Molecular Weight606.02 g/mol
Exact Mass605.10
IUPAC NameN-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1OC(F)(F)F)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C28H23ClF3N3O5S/c29-22-8-2-1-7-21(22)27(37)12-15-35(16-13-27)26(36)20-11-10-19(17-23(20)40-28(30,31)32)34-41(38,39)24-9-3-5-18-6-4-14-33-25(18)24/h1-11,14,17,34,37H,12-13,15-16H2
InChIKeyBFSCUKOYZWXUEV-UHFFFAOYSA-N
XLogP5.71
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.02
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]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

Related Compounds

N-[3-(aminomethyl)-4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 174761850
N-[4-[4-(2-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90447659
[4-[2-(dimethylamino)phenyl]-4-hydroxypiperidin-1-yl]-[4-[[methyl(quinolin-8-yloxy)phosphanyl]amino]-2-(trifluoromethoxy)phenyl]methanone
CID 144699517
N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 90419093
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[dihydroxy(quinolin-8-yl)methyl]amino]-2-fluorophenyl]methanone
CID 90447703
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635215
N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-8-fluoroquinoxaline-5-sulfonamide
CID 78427898
N-[4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 86296511
N-[4-(3-hydroxyazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 57383048
N-[4-[4-[2-fluoro-3-(hydroxymethyl)benzoyl]piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59635113
N-[4-[4-(2,4-dichlorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634934
N-[3-methoxy-4-[4-[(2-methoxy-3-pyridinyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634917

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide (CID 90419010) is N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1OC(F)(F)F)N1CCC(O)(c2ccccc2Cl)CC1.
What is the InChIKey of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide?
The InChIKey is BFSCUKOYZWXUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF3N3O5S/c29-22-8-2-1-7-21(22)27(37)12-15-35(16-13-27)26(36)20-11-10-19(17-23(20)40-28(30,31)32)34-41(38,39)24-9-3-5-18-6-4-14-33-25(18)24/h1-11,14,17,34,37H,12-13,15-16H2.
What are the key properties of N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide?
N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-3-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide has a molecular weight of 606.02 g/mol, XLogP of 5.71, 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-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90419010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).