N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide

C15H16N2O7S — CID 18148017

IUPACN-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O7S/c1-22-11-5-7-15(12(9-11)17(18)19)25(20,21)16-10-4-6-13(23-2)14(8-10)24-3/h4-9,16H,1-3H3
InChIKeyBOHPVROPFXVIKI-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.42
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide

N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide (PubChem CID 18148017) has the molecular formula C15H16N2O7S and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
PubChem CID18148017
Molecular FormulaC15H16N2O7S
Molecular Weight368.37 g/mol
Exact Mass368.07
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O7S/c1-22-11-5-7-15(12(9-11)17(18)19)25(20,21)16-10-4-6-13(23-2)14(8-10)24-3/h4-9,16H,1-3H3
InChIKeyBOHPVROPFXVIKI-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-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015
N-(3-bromophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147940
N-(3-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147954
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 18274871
N-(2,6-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148013
sodium 4-methoxy-2-nitrobenzenesulfonate
CID 112704965
butyl 4-[(4-methoxy-2-nitrophenyl)sulfonylamino]benzoate
CID 24621712
4-methoxy-2-nitro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 18148007
4-methoxy-N-(2-methylsulfanylphenyl)-2-nitrobenzenesulfonamide
CID 18148049
N-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide (CID 18148017) is N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The InChIKey is BOHPVROPFXVIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O7S/c1-22-11-5-7-15(12(9-11)17(18)19)25(20,21)16-10-4-6-13(23-2)14(8-10)24-3/h4-9,16H,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide?
N-(3,4-dimethoxyphenyl)-4-methoxy-2-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-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 18148017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).