N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide

C17H11ClF4N2O3S — CID 22238869

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
SMILESO=c1cc(C(F)(F)F)c2cc(S(=O)(=O)NCc3cc(Cl)ccc3F)ccc2[nH]1
InChIInChI=1S/C17H11ClF4N2O3S/c18-10-1-3-14(19)9(5-10)8-23-28(26,27)11-2-4-15-12(6-11)13(17(20,21)22)7-16(25)24-15/h1-7,23H,8H2,(H,24,25)
InChIKeySJTJPOCNHLOWQA-UHFFFAOYSA-N
MW434.80 g/mol
LogP3.82
Rot. Bonds4

About N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide

N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide (PubChem CID 22238869) has the molecular formula C17H11ClF4N2O3S and a molecular weight of 434.80 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
PubChem CID22238869
Molecular FormulaC17H11ClF4N2O3S
Molecular Weight434.80 g/mol
Exact Mass434.01
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
SMILESO=c1cc(C(F)(F)F)c2cc(S(=O)(=O)NCc3cc(Cl)ccc3F)ccc2[nH]1
InChIInChI=1S/C17H11ClF4N2O3S/c18-10-1-3-14(19)9(5-10)8-23-28(26,27)11-2-4-15-12(6-11)13(17(20,21)22)7-16(25)24-15/h1-7,23H,8H2,(H,24,25)
InChIKeySJTJPOCNHLOWQA-UHFFFAOYSA-N
XLogP3.82
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238891
N-(4-chlorophenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11397762
N-benzyl-4-(1,1-difluorobut-3-enyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 162580040
N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238919
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
2-oxo-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide
CID 22238902
N-(3-methylsulfanylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide
CID 11318086
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide (CID 22238869) is N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide is O=c1cc(C(F)(F)F)c2cc(S(=O)(=O)NCc3cc(Cl)ccc3F)ccc2[nH]1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide?
The InChIKey is SJTJPOCNHLOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N2O3S/c18-10-1-3-14(19)9(5-10)8-23-28(26,27)11-2-4-15-12(6-11)13(17(20,21)22)7-16(25)24-15/h1-7,23H,8H2,(H,24,25).
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide?
N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide has a molecular weight of 434.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 22238869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).