2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide

C17H20N2O8S — CID 55895075

IUPAC2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
SMILESCOCCOc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OC
InChIInChI=1S/C17H20N2O8S/c1-24-8-9-27-15-10-12(4-6-14(15)25-2)18-28(22,23)17-7-5-13(19(20)21)11-16(17)26-3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyUQBGDZIDSGYVOB-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.44
Rot. Bonds10

About 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide

2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide (PubChem CID 55895075) has the molecular formula C17H20N2O8S and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
PubChem CID55895075
Molecular FormulaC17H20N2O8S
Molecular Weight412.42 g/mol
Exact Mass412.09
IUPAC Name2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide
SMILESCOCCOc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OC
InChIInChI=1S/C17H20N2O8S/c1-24-8-9-27-15-10-12(4-6-14(15)25-2)18-28(22,23)17-7-5-13(19(20)21)11-16(17)26-3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyUQBGDZIDSGYVOB-UHFFFAOYSA-N
XLogP2.44
TPSA126.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
N-[3-[(2-methoxy-4-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 55880156
N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 61386073
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
2-methoxy-4-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 47062695
N-(3-ethynylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60531704
N-(3,4-dimethoxyphenyl)-5-nitro-1H-indole-3-sulfonamide
CID 46273346
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
N-(3-methoxy-4-methylphenyl)-4-nitrobenzenesulfonamide
CID 170925249
N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148017
tert-butyl N-[3-(2-methoxy-5-nitrophenoxy)propyl]carbamate
CID 142777700

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide (CID 55895075) is 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide is COCCOc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1OC.
What is the InChIKey of 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide?
The InChIKey is UQBGDZIDSGYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O8S/c1-24-8-9-27-15-10-12(4-6-14(15)25-2)18-28(22,23)17-7-5-13(19(20)21)11-16(17)26-3/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide?
2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide has a molecular weight of 412.42 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 55895075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).