N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide

C16H17N3O5S — CID 1118418

IUPACN-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H17N3O5S/c20-19(21)15-3-1-2-4-16(15)25(22,23)17-13-5-7-14(8-6-13)18-9-11-24-12-10-18/h1-8,17H,9-12H2
InChIKeyKSKAPXZQBIVNAS-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.23
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide

N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide (PubChem CID 1118418) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide
PubChem CID1118418
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H17N3O5S/c20-19(21)15-3-1-2-4-16(15)25(22,23)17-13-5-7-14(8-6-13)18-9-11-24-12-10-18/h1-8,17H,9-12H2
InChIKeyKSKAPXZQBIVNAS-UHFFFAOYSA-N
XLogP2.23
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938967
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
2-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 997375
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
CID 25037325
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
2-nitro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622410
2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 17256523
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide
CID 17319807
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide (CID 1118418) is N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide?
The InChIKey is KSKAPXZQBIVNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c20-19(21)15-3-1-2-4-16(15)25(22,23)17-13-5-7-14(8-6-13)18-9-11-24-12-10-18/h1-8,17H,9-12H2.
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide?
N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide has a molecular weight of 363.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 1118418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).