2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide

C17H19N3O4S — CID 25162643

IUPAC2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C17H19N3O4S/c1-13-2-3-15(25(22,23)20-8-10-24-11-9-20)12-16(13)17(21)19-14-4-6-18-7-5-14/h2-7,12H,8-11H2,1H3,(H,18,19,21)
InChIKeyXTKIVBHRZLNNAU-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.66
Rot. Bonds4

About 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide

2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide (PubChem CID 25162643) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
PubChem CID25162643
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C17H19N3O4S/c1-13-2-3-15(25(22,23)20-8-10-24-11-9-20)12-16(13)17(21)19-14-4-6-18-7-5-14/h2-7,12H,8-11H2,1H3,(H,18,19,21)
InChIKeyXTKIVBHRZLNNAU-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

2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55498032
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55962001
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55962762
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide (CID 25162643) is 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide?
The InChIKey is XTKIVBHRZLNNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13-2-3-15(25(22,23)20-8-10-24-11-9-20)12-16(13)17(21)19-14-4-6-18-7-5-14/h2-7,12H,8-11H2,1H3,(H,18,19,21).
What are the key properties of 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide?
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide 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 2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 25162643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).