N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide

C20H23FN2O4S — CID 47718513

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-2-3-15-4-6-16(7-5-15)20(24)22-17-8-9-18(21)19(14-17)28(25,26)23-10-12-27-13-11-23/h4-9,14H,2-3,10-13H2,1H3,(H,22,24)
InChIKeyPJYBYHCCZGAJAB-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.05
Rot. Bonds6

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide (PubChem CID 47718513) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
PubChem CID47718513
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-2-3-15-4-6-16(7-5-15)20(24)22-17-8-9-18(21)19(14-17)28(25,26)23-10-12-27-13-11-23/h4-9,14H,2-3,10-13H2,1H3,(H,22,24)
InChIKeyPJYBYHCCZGAJAB-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55489167
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 55684611
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26639223
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17447457
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide (CID 47718513) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide?
The InChIKey is PJYBYHCCZGAJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-2-3-15-4-6-16(7-5-15)20(24)22-17-8-9-18(21)19(14-17)28(25,26)23-10-12-27-13-11-23/h4-9,14H,2-3,10-13H2,1H3,(H,22,24).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide has a molecular weight of 406.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide is sourced from PubChem (CID 47718513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).