N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide

C19H17FN4O5S — CID 1011028

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(OC)n1
InChIInChI=1S/C19H17FN4O5S/c1-28-17-11-16(22-19(23-17)29-2)24-30(26,27)15-9-7-14(8-10-15)21-18(25)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyKGUQTMKCZKVNIC-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.69
Rot. Bonds7

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide (PubChem CID 1011028) has the molecular formula C19H17FN4O5S and a molecular weight of 432.43 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide
PubChem CID1011028
Molecular FormulaC19H17FN4O5S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(OC)n1
InChIInChI=1S/C19H17FN4O5S/c1-28-17-11-16(22-19(23-17)29-2)24-30(26,27)15-9-7-14(8-10-15)21-18(25)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyKGUQTMKCZKVNIC-UHFFFAOYSA-N
XLogP2.69
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide (CID 1011028) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide?
The InChIKey is KGUQTMKCZKVNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O5S/c1-28-17-11-16(22-19(23-17)29-2)24-30(26,27)15-9-7-14(8-10-15)21-18(25)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide has a molecular weight of 432.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 1011028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).