2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide

C19H21N3O6S — CID 9398216

IUPAC2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C19H21N3O6S/c1-13-6-7-15(29(26,27)21-8-10-28-11-9-21)12-16(13)19(23)20-17-4-3-5-18(14(17)2)22(24)25/h3-7,12H,8-11H2,1-2H3,(H,20,23)
InChIKeySOAALVDOBYQYCJ-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.48
Rot. Bonds5

About 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide

2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 9398216) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID9398216
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C19H21N3O6S/c1-13-6-7-15(29(26,27)21-8-10-28-11-9-21)12-16(13)19(23)20-17-4-3-5-18(14(17)2)22(24)25/h3-7,12H,8-11H2,1-2H3,(H,20,23)
InChIKeySOAALVDOBYQYCJ-UHFFFAOYSA-N
XLogP2.48
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide (CID 9398216) is 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SOAALVDOBYQYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-13-6-7-15(29(26,27)21-8-10-28-11-9-21)12-16(13)19(23)20-17-4-3-5-18(14(17)2)22(24)25/h3-7,12H,8-11H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 419.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9398216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).