3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C19H18N4O4S — CID 1219917

IUPAC3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C19H18N4O4S/c1-13-10-11-20-19(21-13)23-28(25,26)17-8-6-15(7-9-17)22-18(24)14-4-3-5-16(12-14)27-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyUKMSVBGXSLGRQI-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.85
Rot. Bonds6

About 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1219917) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1219917
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C19H18N4O4S/c1-13-10-11-20-19(21-13)23-28(25,26)17-8-6-15(7-9-17)22-18(24)14-4-3-5-16(12-14)27-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyUKMSVBGXSLGRQI-UHFFFAOYSA-N
XLogP2.85
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 1219917) is 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is UKMSVBGXSLGRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-13-10-11-20-19(21-13)23-28(25,26)17-8-6-15(7-9-17)22-18(24)14-4-3-5-16(12-14)27-2/h3-12H,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 398.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1219917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).