3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide

C23H30FN3O4S — CID 55905014

IUPAC3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)ccc1F
InChIInChI=1S/C23H30FN3O4S/c1-3-27(4-2)32(29,30)22-17-19(7-10-21(22)24)23(28)25-20-8-5-18(6-9-20)11-12-26-13-15-31-16-14-26/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28)
InChIKeyCLMSVSSMYHSMCN-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.98
Rot. Bonds9

About 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide

3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide (PubChem CID 55905014) has the molecular formula C23H30FN3O4S and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
PubChem CID55905014
Molecular FormulaC23H30FN3O4S
Molecular Weight463.58 g/mol
Exact Mass463.19
IUPAC Name3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)ccc1F
InChIInChI=1S/C23H30FN3O4S/c1-3-27(4-2)32(29,30)22-17-19(7-10-21(22)24)23(28)25-20-8-5-18(6-9-20)11-12-26-13-15-31-16-14-26/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28)
InChIKeyCLMSVSSMYHSMCN-UHFFFAOYSA-N
XLogP2.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 26654935
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
N-[4-(2-morpholin-4-ylethyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55905281
4-chloro-3-(diethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 2326320
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530031
3-(benzenesulfonamido)-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55976882
2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575411
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55905402
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide (CID 55905014) is 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(CCN3CCOCC3)cc2)ccc1F.
What is the InChIKey of 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
The InChIKey is CLMSVSSMYHSMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O4S/c1-3-27(4-2)32(29,30)22-17-19(7-10-21(22)24)23(28)25-20-8-5-18(6-9-20)11-12-26-13-15-31-16-14-26/h5-10,17H,3-4,11-16H2,1-2H3,(H,25,28).
What are the key properties of 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide?
3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide has a molecular weight of 463.58 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide is sourced from PubChem (CID 55905014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).