3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide

C18H17FN2O3S — CID 140732873

IUPAC3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide
SMILESC[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccc2[nH]cc(F)c(=O)c12
InChIInChI=1S/C18H17FN2O3S/c1-12(13-7-4-3-5-8-13)21(2)25(23,24)16-10-6-9-15-17(16)18(22)14(19)11-20-15/h3-12H,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyPXJRQGSYRGVMKC-GFCCVEGCSA-N
MW360.41 g/mol
LogP3.05
Rot. Bonds4

About 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide

3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide (PubChem CID 140732873) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide
PubChem CID140732873
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide
SMILESC[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccc2[nH]cc(F)c(=O)c12
InChIInChI=1S/C18H17FN2O3S/c1-12(13-7-4-3-5-8-13)21(2)25(23,24)16-10-6-9-15-17(16)18(22)14(19)11-20-15/h3-12H,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyPXJRQGSYRGVMKC-GFCCVEGCSA-N
XLogP3.05
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8819167
3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide
CID 139014948
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 65428183
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide?
The IUPAC name of 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide (CID 140732873) is 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide is C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccc2[nH]cc(F)c(=O)c12.
What is the InChIKey of 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide?
The InChIKey is PXJRQGSYRGVMKC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-12(13-7-4-3-5-8-13)21(2)25(23,24)16-10-6-9-15-17(16)18(22)14(19)11-20-15/h3-12H,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide?
3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide is sourced from PubChem (CID 140732873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).