N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide

C22H26FN3O4S — CID 2640923

IUPACN-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C22H26FN3O4S/c23-17-4-6-18(7-5-17)24-22(27)20-16-19(31(28,29)26-10-2-1-3-11-26)8-9-21(20)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,24,27)
InChIKeyMSLPLBIPTQWGPM-UHFFFAOYSA-N
MW447.53 g/mol
LogP3.09
Rot. Bonds5

About N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide

N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2640923) has the molecular formula C22H26FN3O4S and a molecular weight of 447.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2640923
Molecular FormulaC22H26FN3O4S
Molecular Weight447.53 g/mol
Exact Mass447.16
IUPAC NameN-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C22H26FN3O4S/c23-17-4-6-18(7-5-17)24-22(27)20-16-19(31(28,29)26-10-2-1-3-11-26)8-9-21(20)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,24,27)
InChIKeyMSLPLBIPTQWGPM-UHFFFAOYSA-N
XLogP3.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
N-(2,5-difluorophenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 31509173
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate
CID 26240399
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide (CID 2640923) is N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MSLPLBIPTQWGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4S/c23-17-4-6-18(7-5-17)24-22(27)20-16-19(31(28,29)26-10-2-1-3-11-26)8-9-21(20)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide?
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 447.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2640923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).