N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide

C13H10F2N2O5S — CID 47062701

IUPACN-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O5S/c1-22-12-7-9(17(18)19)3-5-13(12)23(20,21)16-11-4-2-8(14)6-10(11)15/h2-7,16H,1H3
InChIKeyGOMREAXLRARZGN-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.68
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide

N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide (PubChem CID 47062701) has the molecular formula C13H10F2N2O5S and a molecular weight of 344.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
PubChem CID47062701
Molecular FormulaC13H10F2N2O5S
Molecular Weight344.30 g/mol
Exact Mass344.03
IUPAC NameN-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N2O5S/c1-22-12-7-9(17(18)19)3-5-13(12)23(20,21)16-11-4-2-8(14)6-10(11)15/h2-7,16H,1H3
InChIKeyGOMREAXLRARZGN-UHFFFAOYSA-N
XLogP2.68
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-fluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062690
N-(4-bromo-2-fluorophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822705
N-(4-iodo-2-methylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60533112
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2-methoxy-4-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 47062695
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzenesulfonamide
CID 43501815
N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide (CID 47062701) is N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide is COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide?
The InChIKey is GOMREAXLRARZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O5S/c1-22-12-7-9(17(18)19)3-5-13(12)23(20,21)16-11-4-2-8(14)6-10(11)15/h2-7,16H,1H3.
What are the key properties of N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide?
N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide has a molecular weight of 344.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide is sourced from PubChem (CID 47062701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).