(3-bromophenyl)-difluoromethanesulfonamide

C7H6BrF2NO2S — CID 11687831

IUPAC(3-bromophenyl)-difluoromethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)c1cccc(Br)c1
InChIInChI=1S/C7H6BrF2NO2S/c8-6-3-1-2-5(4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyRXNVOIIGCVXUGN-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.79
Rot. Bonds2

About (3-bromophenyl)-difluoromethanesulfonamide

(3-bromophenyl)-difluoromethanesulfonamide (PubChem CID 11687831) has the molecular formula C7H6BrF2NO2S and a molecular weight of 286.10 g/mol. Its IUPAC name is (3-bromophenyl)-difluoromethanesulfonamide.

Molecular Properties

Compound Name(3-bromophenyl)-difluoromethanesulfonamide
PubChem CID11687831
Molecular FormulaC7H6BrF2NO2S
Molecular Weight286.10 g/mol
Exact Mass284.93
IUPAC Name(3-bromophenyl)-difluoromethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)c1cccc(Br)c1
InChIInChI=1S/C7H6BrF2NO2S/c8-6-3-1-2-5(4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKeyRXNVOIIGCVXUGN-UHFFFAOYSA-N
XLogP1.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromophenyl)-difluoromethanesulfonamide 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 (3-bromophenyl)-difluoromethanesulfonamide?
The IUPAC name of (3-bromophenyl)-difluoromethanesulfonamide (CID 11687831) is (3-bromophenyl)-difluoromethanesulfonamide.
What is the SMILES notation for (3-bromophenyl)-difluoromethanesulfonamide?
The canonical SMILES for (3-bromophenyl)-difluoromethanesulfonamide is NS(=O)(=O)C(F)(F)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-difluoromethanesulfonamide?
The InChIKey is RXNVOIIGCVXUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2S/c8-6-3-1-2-5(4-6)7(9,10)14(11,12)13/h1-4H,(H2,11,12,13).
What are the key properties of (3-bromophenyl)-difluoromethanesulfonamide?
(3-bromophenyl)-difluoromethanesulfonamide has a molecular weight of 286.10 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-difluoromethanesulfonamide is sourced from PubChem (CID 11687831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).