N,4-dimethoxy-3-nitrobenzenesulfonamide

C8H10N2O6S — CID 60700810

IUPACN,4-dimethoxy-3-nitrobenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O6S/c1-15-8-4-3-6(5-7(8)10(11)12)17(13,14)9-16-2/h3-5,9H,1-2H3
InChIKeyRPYQFBPLNPILCG-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.44
Rot. Bonds5

About N,4-dimethoxy-3-nitrobenzenesulfonamide

N,4-dimethoxy-3-nitrobenzenesulfonamide (PubChem CID 60700810) has the molecular formula C8H10N2O6S and a molecular weight of 262.24 g/mol. Its IUPAC name is N,4-dimethoxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethoxy-3-nitrobenzenesulfonamide
PubChem CID60700810
Molecular FormulaC8H10N2O6S
Molecular Weight262.24 g/mol
Exact Mass262.03
IUPAC NameN,4-dimethoxy-3-nitrobenzenesulfonamide
SMILESCONS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O6S/c1-15-8-4-3-6(5-7(8)10(11)12)17(13,14)9-16-2/h3-5,9H,1-2H3
InChIKeyRPYQFBPLNPILCG-UHFFFAOYSA-N
XLogP0.44
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
CID 60700422
1-methoxy-2-nitro-4-(trifluoromethylsulfonyl)benzene
CID 1380916
N-[(2S)-2-hydroxypropyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 83030727
N-(1,3-dihydroxypropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 65314295
N-(1-amino-2-methylpropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 63194359
N-(2-cyanopropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 61127916
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
N-(4-aminobutyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 60895774
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
N-(4-hydroxybutan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 115477856
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 119976054

Frequently Asked Questions

What is the IUPAC name of N,4-dimethoxy-3-nitrobenzenesulfonamide?
The IUPAC name of N,4-dimethoxy-3-nitrobenzenesulfonamide (CID 60700810) is N,4-dimethoxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N,4-dimethoxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N,4-dimethoxy-3-nitrobenzenesulfonamide is CONS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N,4-dimethoxy-3-nitrobenzenesulfonamide?
The InChIKey is RPYQFBPLNPILCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6S/c1-15-8-4-3-6(5-7(8)10(11)12)17(13,14)9-16-2/h3-5,9H,1-2H3.
What are the key properties of N,4-dimethoxy-3-nitrobenzenesulfonamide?
N,4-dimethoxy-3-nitrobenzenesulfonamide has a molecular weight of 262.24 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethoxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 60700810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).