2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide

C8H9F2N3O4S — CID 103828460

IUPAC2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H9F2N3O4S/c9-6-3-5(13(14)15)4-7(10)8(6)12-1-2-18(11,16)17/h3-4,12H,1-2H2,(H2,11,16,17)
InChIKeyIHMMEAUGWJRAHY-UHFFFAOYSA-N
MW281.24 g/mol
LogP0.57
Rot. Bonds5

About 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide

2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide (PubChem CID 103828460) has the molecular formula C8H9F2N3O4S and a molecular weight of 281.24 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide
PubChem CID103828460
Molecular FormulaC8H9F2N3O4S
Molecular Weight281.24 g/mol
Exact Mass281.03
IUPAC Name2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H9F2N3O4S/c9-6-3-5(13(14)15)4-7(10)8(6)12-1-2-18(11,16)17/h3-4,12H,1-2H2,(H2,11,16,17)
InChIKeyIHMMEAUGWJRAHY-UHFFFAOYSA-N
XLogP0.57
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
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

2-(3,5-difluoro-2-nitroanilino)ethanesulfonamide
CID 115507734
N-(3,3-dimethylbutyl)-2,6-difluoro-4-nitroaniline
CID 114048007
2-(3-methoxy-5-nitroanilino)ethanesulfonamide
CID 80724085
N-(2,6-difluoro-4-nitrophenyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103828442
2-[2-(difluoromethyl)-4-nitroanilino]ethanesulfonamide
CID 63748992
2-fluoro-4-nitro-N-(3-sulfamoylpropyl)benzenesulfonamide
CID 61226075
2,6-difluoro-N-(4-methoxybutyl)-4-nitroaniline
CID 103828455
[4-[2-(2,6-difluoro-4-nitroanilino)ethyl]phenyl]methanol
CID 133434958
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
CID 61036668
2,3-difluoro-5-nitrobenzenesulfonamide
CID 63841468
N-tert-butyl-3-(2,6-difluoro-4-nitroanilino)propanamide
CID 103828577
2-(2-cyano-4-nitroanilino)ethanesulfonamide
CID 43552415

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide?
The IUPAC name of 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide (CID 103828460) is 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide.
What is the SMILES notation for 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide?
The canonical SMILES for 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide is NS(=O)(=O)CCNc1c(F)cc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide?
The InChIKey is IHMMEAUGWJRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O4S/c9-6-3-5(13(14)15)4-7(10)8(6)12-1-2-18(11,16)17/h3-4,12H,1-2H2,(H2,11,16,17).
What are the key properties of 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide?
2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide has a molecular weight of 281.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide is sourced from PubChem (CID 103828460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).