N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide

C24H24N4O7S — CID 4560302

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C24H24N4O7S/c1-34-22-9-5-3-7-19(22)26-36(32,33)23-16-17(10-11-21(23)27-12-14-35-15-13-27)25-24(29)18-6-2-4-8-20(18)28(30)31/h2-11,16,26H,12-15H2,1H3,(H,25,29)
InChIKeyCDRWVEUIOQPRRW-UHFFFAOYSA-N
MW512.54 g/mol
LogP3.49
Rot. Bonds8

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide (PubChem CID 4560302) has the molecular formula C24H24N4O7S and a molecular weight of 512.54 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide
PubChem CID4560302
Molecular FormulaC24H24N4O7S
Molecular Weight512.54 g/mol
Exact Mass512.14
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C24H24N4O7S/c1-34-22-9-5-3-7-19(22)26-36(32,33)23-16-17(10-11-21(23)27-12-14-35-15-13-27)25-24(29)18-6-2-4-8-20(18)28(30)31/h2-11,16,26H,12-15H2,1H3,(H,25,29)
InChIKeyCDRWVEUIOQPRRW-UHFFFAOYSA-N
XLogP3.49
TPSA140.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.54
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]cyclopentanecarboxamide
CID 4837031
2,4,5-trimethoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 3359599
3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 4849688
N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4092833
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 4834845
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide
CID 4845849
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
2-methoxy-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689148
3,4-dimethoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127084
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]cyclobutanecarboxamide
CID 4008711

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide (CID 4560302) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide?
The InChIKey is CDRWVEUIOQPRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O7S/c1-34-22-9-5-3-7-19(22)26-36(32,33)23-16-17(10-11-21(23)27-12-14-35-15-13-27)25-24(29)18-6-2-4-8-20(18)28(30)31/h2-11,16,26H,12-15H2,1H3,(H,25,29).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide has a molecular weight of 512.54 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-nitrobenzamide is sourced from PubChem (CID 4560302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).