N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide

C14H13FN2O5S — CID 169373058

IUPACN-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(C)cc2)cc1F
InChIInChI=1S/C14H13FN2O5S/c1-9-3-5-10(6-4-9)23(20,21)16-12-7-11(15)14(22-2)8-13(12)17(18)19/h3-8,16H,1-2H3
InChIKeyOZKIOGHFZLCSFP-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.85
Rot. Bonds5

About N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide

N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide (PubChem CID 169373058) has the molecular formula C14H13FN2O5S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide
PubChem CID169373058
Molecular FormulaC14H13FN2O5S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC NameN-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(C)cc2)cc1F
InChIInChI=1S/C14H13FN2O5S/c1-9-3-5-10(6-4-9)23(20,21)16-12-7-11(15)14(22-2)8-13(12)17(18)19/h3-8,16H,1-2H3
InChIKeyOZKIOGHFZLCSFP-UHFFFAOYSA-N
XLogP2.85
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.85
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

4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
4-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 169371408
N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 4815997
N-(4-bromo-2-nitro-5-propoxyphenyl)-4-methylbenzenesulfonamide
CID 169370175
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
4-bromo-N-(5-methyl-2-nitrophenyl)benzenesulfonamide
CID 115912716
N-(4-fluoro-3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 124620748
N-[2-hydroxy-4-nitro-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169373053
N-(2,4-dinitro-5-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372915
3-chloro-N-(2-methoxy-5-methylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8513789
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide (CID 169373058) is N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide is COc1cc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(C)cc2)cc1F.
What is the InChIKey of N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide?
The InChIKey is OZKIOGHFZLCSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5S/c1-9-3-5-10(6-4-9)23(20,21)16-12-7-11(15)14(22-2)8-13(12)17(18)19/h3-8,16H,1-2H3.
What are the key properties of N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide?
N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide has a molecular weight of 340.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).