3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide

C23H17FN4O3S — CID 134056280

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H17FN4O3S/c24-18-9-11-19(12-10-18)28-32(30,31)21-8-4-7-17(13-21)23(29)27-20-14-25-22(26-15-20)16-5-2-1-3-6-16/h1-15,28H,(H,27,29)
InChIKeyQDGRGKGFWOIRME-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.34
Rot. Bonds6

About 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide

3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide (PubChem CID 134056280) has the molecular formula C23H17FN4O3S and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
PubChem CID134056280
Molecular FormulaC23H17FN4O3S
Molecular Weight448.48 g/mol
Exact Mass448.10
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H17FN4O3S/c24-18-9-11-19(12-10-18)28-32(30,31)21-8-4-7-17(13-21)23(29)27-20-14-25-22(26-15-20)16-5-2-1-3-6-16/h1-15,28H,(H,27,29)
InChIKeyQDGRGKGFWOIRME-UHFFFAOYSA-N
XLogP4.34
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
5-(benzenesulfonamido)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 20910390
N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
3-[(4-fluorophenyl)sulfamoyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 47005486

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide (CID 134056280) is 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide?
The InChIKey is QDGRGKGFWOIRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3S/c24-18-9-11-19(12-10-18)28-32(30,31)21-8-4-7-17(13-21)23(29)27-20-14-25-22(26-15-20)16-5-2-1-3-6-16/h1-15,28H,(H,27,29).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide has a molecular weight of 448.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 134056280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).