N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide

C13H10ClFN2O5S — CID 18148025

IUPACN-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10ClFN2O5S/c1-22-9-3-5-13(12(7-9)17(18)19)23(20,21)16-11-4-2-8(14)6-10(11)15/h2-7,16H,1H3
InChIKeyFSRKAHUEVWPMAU-UHFFFAOYSA-N
MW360.75 g/mol
LogP3.20
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide

N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide (PubChem CID 18148025) has the molecular formula C13H10ClFN2O5S and a molecular weight of 360.75 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
PubChem CID18148025
Molecular FormulaC13H10ClFN2O5S
Molecular Weight360.75 g/mol
Exact Mass360.00
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10ClFN2O5S/c1-22-9-3-5-13(12(7-9)17(18)19)23(20,21)16-11-4-2-8(14)6-10(11)15/h2-7,16H,1H3
InChIKeyFSRKAHUEVWPMAU-UHFFFAOYSA-N
XLogP3.20
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 53.20
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-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
4-methoxy-2-nitro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 18148007
N-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015
N-(2,6-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148013
4-methoxy-N-(2-methylsulfanylphenyl)-2-nitrobenzenesulfonamide
CID 18148049
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148288
N-(3-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147954
N-[(4-chlorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 19872494
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide
CID 15983058
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide
CID 110504120

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide (CID 18148025) is N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The InChIKey is FSRKAHUEVWPMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O5S/c1-22-9-3-5-13(12(7-9)17(18)19)23(20,21)16-11-4-2-8(14)6-10(11)15/h2-7,16H,1H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide?
N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide has a molecular weight of 360.75 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 18148025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).