N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide

C15H25N3O6S — CID 163792434

IUPACN-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide
SMILESCON(C)CCCCCCN(OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H25N3O6S/c1-16(23-2)12-8-4-5-9-13-17(24-3)25(21,22)15-11-7-6-10-14(15)18(19)20/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3
InChIKeyMXYHIVYZRGVXKT-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.20
Rot. Bonds12

About N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide

N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide (PubChem CID 163792434) has the molecular formula C15H25N3O6S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide
PubChem CID163792434
Molecular FormulaC15H25N3O6S
Molecular Weight375.45 g/mol
Exact Mass375.15
IUPAC NameN-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide
SMILESCON(C)CCCCCCN(OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H25N3O6S/c1-16(23-2)12-8-4-5-9-13-17(24-3)25(21,22)15-11-7-6-10-14(15)18(19)20/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3
InChIKeyMXYHIVYZRGVXKT-UHFFFAOYSA-N
XLogP2.20
TPSA102.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzenesulfonamide
CID 26544797
N-[(2R)-butan-2-yl]-N-methyl-2-nitrobenzenesulfonamide
CID 11022024
2-[2-[2-[methyl-(2-nitrophenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 90041316
2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide
CID 90145322
N,N-di(butan-2-yl)-2-nitrobenzenesulfonamide
CID 2933512
N,N-bis[(2S)-butan-2-yl]-2-nitrobenzenesulfonamide
CID 845097
2-amino-N-methyl-N-(2-nitrophenyl)sulfonylbenzenesulfonamide
CID 90809948
2-nitro-N-phenyl-N-propylbenzenesulfonamide
CID 167167551
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 170372081
1-ethylsulfonyl-2-nitrobenzene
CID 12646354

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide?
The IUPAC name of N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide (CID 163792434) is N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide?
The canonical SMILES for N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide is CON(C)CCCCCCN(OC)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide?
The InChIKey is MXYHIVYZRGVXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O6S/c1-16(23-2)12-8-4-5-9-13-17(24-3)25(21,22)15-11-7-6-10-14(15)18(19)20/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide?
N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.20, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[6-[methoxy(methyl)amino]hexyl]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 163792434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).