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

C15H15FN2O5S — CID 75394401

IUPACN-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O5S/c1-3-23-12-6-7-13(14(9-12)18(19)20)17-24(21,22)15-8-11(16)5-4-10(15)2/h4-9,17H,3H2,1-2H3
InChIKeyUORFDDQZARAMTR-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.24
Rot. Bonds6

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

N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 75394401) has the molecular formula C15H15FN2O5S and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID75394401
Molecular FormulaC15H15FN2O5S
Molecular Weight354.36 g/mol
Exact Mass354.07
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O5S/c1-3-23-12-6-7-13(14(9-12)18(19)20)17-24(21,22)15-8-11(16)5-4-10(15)2/h4-9,17H,3H2,1-2H3
InChIKeyUORFDDQZARAMTR-UHFFFAOYSA-N
XLogP3.24
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.24
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-(4-ethoxy-2-nitrophenyl)methanesulfonamide
CID 60640247
N-(2,2-dimethylpropyl)-4-ethoxy-2-nitroaniline
CID 61323922
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
3-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methylpropane-1-sulfonamide
CID 79557203
N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
CID 60640769
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
2-(2,5-dimethylphenyl)sulfanyl-N-(4-ethoxy-2-nitrophenyl)acetamide
CID 35986495
4-ethoxy-2-nitrobenzenesulfonyl chloride
CID 12514471
5-chloro-2-methoxy-N-(2-nitro-4-propoxyphenyl)benzenesulfonamide
CID 110504120
N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2933763
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide (CID 75394401) is N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(F)ccc2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UORFDDQZARAMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S/c1-3-23-12-6-7-13(14(9-12)18(19)20)17-24(21,22)15-8-11(16)5-4-10(15)2/h4-9,17H,3H2,1-2H3.
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 354.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 75394401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).