N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide

C15H16N2O7S — CID 8822749

IUPACN-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1
InChIInChI=1S/C15H16N2O7S/c1-22-11-5-7-13(23-2)12(9-11)16-25(20,21)15-8-10(17(18)19)4-6-14(15)24-3/h4-9,16H,1-3H3
InChIKeyHXWXULVKMWYSJN-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.42
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide

N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide (PubChem CID 8822749) has the molecular formula C15H16N2O7S and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
PubChem CID8822749
Molecular FormulaC15H16N2O7S
Molecular Weight368.37 g/mol
Exact Mass368.07
IUPAC NameN-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1
InChIInChI=1S/C15H16N2O7S/c1-22-11-5-7-13(23-2)12(9-11)16-25(20,21)15-8-10(17(18)19)4-6-14(15)24-3/h4-9,16H,1-3H3
InChIKeyHXWXULVKMWYSJN-UHFFFAOYSA-N
XLogP2.42
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 21367365
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822841
2-[(2,5-dimethoxyphenyl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 31663976
N-(4-bromo-2-fluorophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822705
2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
CID 82723411
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide (CID 8822749) is N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
The InChIKey is HXWXULVKMWYSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O7S/c1-22-11-5-7-13(23-2)12(9-11)16-25(20,21)15-8-10(17(18)19)4-6-14(15)24-3/h4-9,16H,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide?
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide has a molecular weight of 368.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide is sourced from PubChem (CID 8822749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).