N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

C21H25FN2O4S — CID 2161635

IUPACN-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H25FN2O4S/c1-3-15-6-5-7-16(4-2)20(15)23-21(25)17-8-9-18(22)19(14-17)29(26,27)24-10-12-28-13-11-24/h5-9,14H,3-4,10-13H2,1-2H3,(H,23,25)
InChIKeyFDTUIRYJLZOCPH-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.22
Rot. Bonds6

About N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2161635) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2161635
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H25FN2O4S/c1-3-15-6-5-7-16(4-2)20(15)23-21(25)17-8-9-18(22)19(14-17)29(26,27)24-10-12-28-13-11-24/h5-9,14H,3-4,10-13H2,1-2H3,(H,23,25)
InChIKeyFDTUIRYJLZOCPH-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2464166
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
N-(3-chloro-2,6-diethylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26198625
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 2161635) is N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is CCc1cccc(CC)c1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FDTUIRYJLZOCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-3-15-6-5-7-16(4-2)20(15)23-21(25)17-8-9-18(22)19(14-17)29(26,27)24-10-12-28-13-11-24/h5-9,14H,3-4,10-13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 420.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2161635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).