N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

C17H19N3O4S — CID 1087730

IUPACN-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C17H19N3O4S/c1-13-5-6-18-16(11-13)19-17(21)14-3-2-4-15(12-14)25(22,23)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19,21)
InChIKeyCWGCKJXASJDWOZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.66
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1087730) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1087730
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C17H19N3O4S/c1-13-5-6-18-16(11-13)19-17(21)14-3-2-4-15(12-14)25(22,23)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19,21)
InChIKeyCWGCKJXASJDWOZ-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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Related Compounds

N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
N-(isoquinolin-1-yl)-4-methyl-3-(piperidin-1-ylsulfonyl)benzamide
CID 44446802
N-(6-methylpyridin-2-yl)-4-(morpholinosulfonyl)benzamide
CID 1356345
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 2347598
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 3712018
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
N-(5-chloropyridin-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 1039727
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
CID 16354321
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
3-[methyl(phenyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 2334656
3-(Azepane-1-sulfonyl)-N-(5-chloro-pyridin-2-yl)-benzamide
CID 1322519
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide
CID 86296892

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1087730) is N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CWGCKJXASJDWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13-5-6-18-16(11-13)19-17(21)14-3-2-4-15(12-14)25(22,23)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,18,19,21).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(4-methyl-2-pyridinyl)-3-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-(4-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1087730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).