2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide

C16H20N4O4S — CID 7638250

IUPAC2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C16H20N4O4S/c1-12-3-4-13(25(22,23)20-7-9-24-10-8-20)11-14(12)16(21)17-15-5-6-19(2)18-15/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyNCDXMCIGOAFYGV-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.00
Rot. Bonds4

About 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide

2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 7638250) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID7638250
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C16H20N4O4S/c1-12-3-4-13(25(22,23)20-7-9-24-10-8-20)11-14(12)16(21)17-15-5-6-19(2)18-15/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyNCDXMCIGOAFYGV-UHFFFAOYSA-N
XLogP1.00
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55498032
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43885091

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 7638250) is 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccn(C)n1.
What is the InChIKey of 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NCDXMCIGOAFYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-12-3-4-13(25(22,23)20-7-9-24-10-8-20)11-14(12)16(21)17-15-5-6-19(2)18-15/h3-6,11H,7-10H2,1-2H3,(H,17,18,21).
What are the key properties of 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 364.43 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 7638250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).