N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide

C17H20N4O4S — CID 3292099

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C17H20N4O4S/c1-12-10-13(2)19-17(18-12)20-16(22)14-4-3-5-15(11-14)26(23,24)21-6-8-25-9-7-21/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20,22)
InChIKeyAPSBGJILGJOWPA-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.37
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide

N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 3292099) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID3292099
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C17H20N4O4S/c1-12-10-13(2)19-17(18-12)20-16(22)14-4-3-5-15(11-14)26(23,24)21-6-8-25-9-7-21/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20,22)
InChIKeyAPSBGJILGJOWPA-UHFFFAOYSA-N
XLogP1.37
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 3292099) is N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide is Cc1cc(C)nc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is APSBGJILGJOWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-12-10-13(2)19-17(18-12)20-16(22)14-4-3-5-15(11-14)26(23,24)21-6-8-25-9-7-21/h3-5,10-11H,6-9H2,1-2H3,(H,18,19,20,22).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 376.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3292099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).