N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide

C24H15ClF6N2O4S2 — CID 11204260

About N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide

N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 11204260) has the molecular formula C24H15ClF6N2O4S2 and a molecular weight of 608.97 g/mol. Its IUPAC name is N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide
• PubChem CID: 11204260
• Molecular Formula: C24H15ClF6N2O4S2
• Molecular Weight: 608.97 g/mol
• Exact Mass: 608.01
• IUPAC Name: N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide
• SMILES: O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1Sc1ccc(NS(=O)(=O)CC(F)(F)F)cc1
• InChI: InChI=1S/C24H15ClF6N2O4S2/c25-13-2-8-19(34)17(10-13)20-16-9-12(24(29,30)31)1-7-18(16)32-22(35)21(20)38-15-5-3-14(4-6-15)33-39(36,37)11-23(26,27)28/h1-10,33-34H,11H2,(H,32,35)
• InChIKey: AMDUIECUXLRJFN-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 99.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.97
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide?

The IUPAC name of N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide (CID 11204260) is N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide.

What is the SMILES notation for N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide?

The canonical SMILES for N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide is O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1Sc1ccc(NS(=O)(=O)CC(F)(F)F)cc1.

What is the InChIKey of N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide?

The InChIKey is AMDUIECUXLRJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF6N2O4S2/c25-13-2-8-19(34)17(10-13)20-16-9-12(24(29,30)31)1-7-18(16)32-22(35)21(20)38-15-5-3-14(4-6-15)33-39(36,37)11-23(26,27)28/h1-10,33-34H,11H2,(H,32,35).

What are the key properties of N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide?

N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 608.97 g/mol, XLogP of 7.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]phenyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 11204260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).