4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide

C21H19FN2O4S — CID 3900214

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H19FN2O4S/c22-19-8-6-17(14-20(19)29(26,27)24-9-11-28-12-10-24)21(25)23-18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2,(H,23,25)
InChIKeyWHBGCNWZKLBJMM-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.25
Rot. Bonds4

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide (PubChem CID 3900214) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
PubChem CID3900214
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H19FN2O4S/c22-19-8-6-17(14-20(19)29(26,27)24-9-11-28-12-10-24)21(25)23-18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2,(H,23,25)
InChIKeyWHBGCNWZKLBJMM-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55731562
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 55684611
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17447457
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide (CID 3900214) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide is O=C(Nc1ccc2ccccc2c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide?
The InChIKey is WHBGCNWZKLBJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c22-19-8-6-17(14-20(19)29(26,27)24-9-11-28-12-10-24)21(25)23-18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2,(H,23,25).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide has a molecular weight of 414.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 3900214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).