2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide

C18H19N3O6S — CID 9395287

IUPAC2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O6S/c1-13-2-7-16(28(25,26)20-8-10-27-11-9-20)12-17(13)18(22)19-14-3-5-15(6-4-14)21(23)24/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyGKMXXRJKJKDWPC-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide

2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide (PubChem CID 9395287) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
PubChem CID9395287
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O6S/c1-13-2-7-16(28(25,26)20-8-10-27-11-9-20)12-17(13)18(22)19-14-3-5-15(6-4-14)21(23)24/h2-7,12H,8-11H2,1H3,(H,19,22)
InChIKeyGKMXXRJKJKDWPC-UHFFFAOYSA-N
XLogP2.18
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.18
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-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 9398216
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55962001
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 19257937
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide (CID 9395287) is 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide?
The InChIKey is GKMXXRJKJKDWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-13-2-7-16(28(25,26)20-8-10-27-11-9-20)12-17(13)18(22)19-14-3-5-15(6-4-14)21(23)24/h2-7,12H,8-11H2,1H3,(H,19,22).
What are the key properties of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide?
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide has a molecular weight of 405.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 9395287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).