2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide

C20H18FN3O4S — CID 31030862

IUPAC2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C20H18FN3O4S/c21-18-6-5-16(29(26,27)24-7-9-28-10-8-24)12-17(18)20(25)23-15-11-14-3-1-2-4-19(14)22-13-15/h1-6,11-13H,7-10H2,(H,23,25)
InChIKeyWQVUSGPGOZPDLR-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.65
Rot. Bonds4

About 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide

2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide (PubChem CID 31030862) has the molecular formula C20H18FN3O4S and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide
PubChem CID31030862
Molecular FormulaC20H18FN3O4S
Molecular Weight415.45 g/mol
Exact Mass415.10
IUPAC Name2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C20H18FN3O4S/c21-18-6-5-16(29(26,27)24-7-9-28-10-8-24)12-17(18)20(25)23-15-11-14-3-1-2-4-19(14)22-13-15/h1-6,11-13H,7-10H2,(H,23,25)
InChIKeyWQVUSGPGOZPDLR-UHFFFAOYSA-N
XLogP2.65
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
2-fluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 24636464
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55826797
N-(1-benzyl-1,2,4-triazol-3-yl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55856407
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733
N-(4-butylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 8833039
N'-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24645604
2-fluoro-5-morpholin-4-ylsulfonyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55489616
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide?
The IUPAC name of 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide (CID 31030862) is 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide?
The canonical SMILES for 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide?
The InChIKey is WQVUSGPGOZPDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S/c21-18-6-5-16(29(26,27)24-7-9-28-10-8-24)12-17(18)20(25)23-15-11-14-3-1-2-4-19(14)22-13-15/h1-6,11-13H,7-10H2,(H,23,25).
What are the key properties of 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide?
2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide has a molecular weight of 415.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-morpholin-4-ylsulfonyl-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 31030862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).