N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide

C13H11BrFNO3S2 — CID 163201511

IUPACN-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(=O)(F)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrFNO3S2/c1-10-2-6-13(7-3-10)21(18,19)16-20(15,17)12-8-4-11(14)5-9-12/h2-9H,1H3
InChIKeyKDYSXKQNTBIEJT-UHFFFAOYSA-N
MW392.27 g/mol
LogP3.86
Rot. Bonds3

About N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide

N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 163201511) has the molecular formula C13H11BrFNO3S2 and a molecular weight of 392.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID163201511
Molecular FormulaC13H11BrFNO3S2
Molecular Weight392.27 g/mol
Exact Mass390.93
IUPAC NameN-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(=O)(F)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrFNO3S2/c1-10-2-6-13(7-3-10)21(18,19)16-20(15,17)12-8-4-11(14)5-9-12/h2-9H,1H3
InChIKeyKDYSXKQNTBIEJT-UHFFFAOYSA-N
XLogP3.86
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide 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 N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide (CID 163201511) is N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=S(=O)(F)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is KDYSXKQNTBIEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO3S2/c1-10-2-6-13(7-3-10)21(18,19)16-20(15,17)12-8-4-11(14)5-9-12/h2-9H,1H3.
What are the key properties of N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 392.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-fluoro-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 163201511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).