2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide

C8H8F2N2O4S — CID 123516640

IUPAC2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(CF)cc1CF
InChIInChI=1S/C8H8F2N2O4S/c9-3-5-1-6(4-10)8(17(11,15)16)2-7(5)12(13)14/h1-2H,3-4H2,(H2,11,15,16)
InChIKeySUFDPOSRNNNDSU-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.18
Rot. Bonds4

About 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide

2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide (PubChem CID 123516640) has the molecular formula C8H8F2N2O4S and a molecular weight of 266.23 g/mol. Its IUPAC name is 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide
PubChem CID123516640
Molecular FormulaC8H8F2N2O4S
Molecular Weight266.23 g/mol
Exact Mass266.02
IUPAC Name2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(CF)cc1CF
InChIInChI=1S/C8H8F2N2O4S/c9-3-5-1-6(4-10)8(17(11,15)16)2-7(5)12(13)14/h1-2H,3-4H2,(H2,11,15,16)
InChIKeySUFDPOSRNNNDSU-UHFFFAOYSA-N
XLogP1.18
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide (CID 123516640) is 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])c(CF)cc1CF.
What is the InChIKey of 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide?
The InChIKey is SUFDPOSRNNNDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4S/c9-3-5-1-6(4-10)8(17(11,15)16)2-7(5)12(13)14/h1-2H,3-4H2,(H2,11,15,16).
What are the key properties of 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide?
2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide has a molecular weight of 266.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(fluoromethyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 123516640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).