N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide

C12H8BrFN2O4S — CID 43255338

IUPACN-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C12H8BrFN2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)12-7-10(16(17)18)5-6-11(12)14/h1-7,15H
InChIKeyGDIQSCLULWALMM-UHFFFAOYSA-N
MW375.18 g/mol
LogP3.30
Rot. Bonds4

About N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide

N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide (PubChem CID 43255338) has the molecular formula C12H8BrFN2O4S and a molecular weight of 375.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide
PubChem CID43255338
Molecular FormulaC12H8BrFN2O4S
Molecular Weight375.18 g/mol
Exact Mass373.94
IUPAC NameN-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C12H8BrFN2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)12-7-10(16(17)18)5-6-11(12)14/h1-7,15H
InChIKeyGDIQSCLULWALMM-UHFFFAOYSA-N
XLogP3.30
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 53.30
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide (CID 43255338) is N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide?
The InChIKey is GDIQSCLULWALMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)12-7-10(16(17)18)5-6-11(12)14/h1-7,15H.
What are the key properties of N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide?
N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide has a molecular weight of 375.18 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-fluoro-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43255338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).