2-(4-bromoanilino)ethanesulfonyl fluoride

C8H9BrFNO2S — CID 4738191

IUPAC2-(4-bromoanilino)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCNc1ccc(Br)cc1
InChIInChI=1S/C8H9BrFNO2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2
InChIKeyVFNYCPZUDZQUAB-UHFFFAOYSA-N
MW282.13 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-bromoanilino)ethanesulfonyl fluoride

2-(4-bromoanilino)ethanesulfonyl fluoride (PubChem CID 4738191) has the molecular formula C8H9BrFNO2S and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-(4-bromoanilino)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(4-bromoanilino)ethanesulfonyl fluoride
PubChem CID4738191
Molecular FormulaC8H9BrFNO2S
Molecular Weight282.13 g/mol
Exact Mass280.95
IUPAC Name2-(4-bromoanilino)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCNc1ccc(Br)cc1
InChIInChI=1S/C8H9BrFNO2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2
InChIKeyVFNYCPZUDZQUAB-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromoanilino)ethanesulfonyl fluoride 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-bromoanilino)ethanesulfonyl fluoride?
The IUPAC name of 2-(4-bromoanilino)ethanesulfonyl fluoride (CID 4738191) is 2-(4-bromoanilino)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(4-bromoanilino)ethanesulfonyl fluoride?
The canonical SMILES for 2-(4-bromoanilino)ethanesulfonyl fluoride is O=S(=O)(F)CCNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)ethanesulfonyl fluoride?
The InChIKey is VFNYCPZUDZQUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2.
What are the key properties of 2-(4-bromoanilino)ethanesulfonyl fluoride?
2-(4-bromoanilino)ethanesulfonyl fluoride has a molecular weight of 282.13 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)ethanesulfonyl fluoride is sourced from PubChem (CID 4738191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).