3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C18H14F2N4O4S — CID 2597978

IUPAC3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H14F2N4O4S/c19-17(20)28-14-4-1-3-12(11-14)16(25)23-13-5-7-15(8-6-13)29(26,27)24-18-21-9-2-10-22-18/h1-11,17H,(H,23,25)(H,21,22,24)
InChIKeyBIJVYNNHRZHYFY-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.13
Rot. Bonds7

About 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2597978) has the molecular formula C18H14F2N4O4S and a molecular weight of 420.40 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2597978
Molecular FormulaC18H14F2N4O4S
Molecular Weight420.40 g/mol
Exact Mass420.07
IUPAC Name3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H14F2N4O4S/c19-17(20)28-14-4-1-3-12(11-14)16(25)23-13-5-7-15(8-6-13)29(26,27)24-18-21-9-2-10-22-18/h1-11,17H,(H,23,25)(H,21,22,24)
InChIKeyBIJVYNNHRZHYFY-UHFFFAOYSA-N
XLogP3.13
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1989527
3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1048934
3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150965
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1974798
3-(Pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 72202747
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298534
N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298634
US10450297, Example 49
CID 57584470
US10450297, Example 48
CID 57584759
US10450297, Example 47
CID 57584801
3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1072404

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 2597978) is 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is BIJVYNNHRZHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O4S/c19-17(20)28-14-4-1-3-12(11-14)16(25)23-13-5-7-15(8-6-13)29(26,27)24-18-21-9-2-10-22-18/h1-11,17H,(H,23,25)(H,21,22,24).
What are the key properties of 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 420.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2597978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).