N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide

C17H19N3O4S — CID 1356345

IUPACN-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C17H19N3O4S/c1-13-3-2-4-16(18-13)19-17(21)14-5-7-15(8-6-14)25(22,23)20-9-11-24-12-10-20/h2-8H,9-12H2,1H3,(H,18,19,21)
InChIKeyWEZIYVSJXMRNCZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.66
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide

N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 1356345) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID1356345
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C17H19N3O4S/c1-13-3-2-4-16(18-13)19-17(21)14-5-7-15(8-6-14)25(22,23)20-9-11-24-12-10-20/h2-8H,9-12H2,1H3,(H,18,19,21)
InChIKeyWEZIYVSJXMRNCZ-UHFFFAOYSA-N
XLogP1.66
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide (CID 1356345) is N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WEZIYVSJXMRNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13-3-2-4-16(18-13)19-17(21)14-5-7-15(8-6-14)25(22,23)20-9-11-24-12-10-20/h2-8H,9-12H2,1H3,(H,18,19,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 361.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1356345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).