N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide

C21H19FN4O4S — CID 75400675

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cncnc1-c1ccccc1
InChIInChI=1S/C21H19FN4O4S/c22-18-7-6-16(12-19(18)31(28,29)26-8-10-30-11-9-26)25-21(27)17-13-23-14-24-20(17)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2,(H,25,27)
InChIKeyISJWYSYDGXRSII-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.56
Rot. Bonds5

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide (PubChem CID 75400675) has the molecular formula C21H19FN4O4S and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
PubChem CID75400675
Molecular FormulaC21H19FN4O4S
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cncnc1-c1ccccc1
InChIInChI=1S/C21H19FN4O4S/c22-18-7-6-16(12-19(18)31(28,29)26-8-10-30-11-9-26)25-21(27)17-13-23-14-24-20(17)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2,(H,25,27)
InChIKeyISJWYSYDGXRSII-UHFFFAOYSA-N
XLogP2.56
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,5-difluorobenzamide
CID 55375493
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413
5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55914939
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 17431718
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide (CID 75400675) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cncnc1-c1ccccc1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide?
The InChIKey is ISJWYSYDGXRSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4S/c22-18-7-6-16(12-19(18)31(28,29)26-8-10-30-11-9-26)25-21(27)17-13-23-14-24-20(17)15-4-2-1-3-5-15/h1-7,12-14H,8-11H2,(H,25,27).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 75400675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).