(3-bromophenyl)methanesulfonamide

C7H8BrNO2S — CID 50998650

IUPAC(3-bromophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc(Br)c1
InChIInChI=1S/C7H8BrNO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyNZPHFPJATRGGMD-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.24
Rot. Bonds2

About (3-bromophenyl)methanesulfonamide

(3-bromophenyl)methanesulfonamide (PubChem CID 50998650) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is (3-bromophenyl)methanesulfonamide.

Molecular Properties

Compound Name(3-bromophenyl)methanesulfonamide
PubChem CID50998650
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name(3-bromophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc(Br)c1
InChIInChI=1S/C7H8BrNO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyNZPHFPJATRGGMD-UHFFFAOYSA-N
XLogP1.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromophenyl)methanesulfonamide 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)methanesulfonamide?
The IUPAC name of (3-bromophenyl)methanesulfonamide (CID 50998650) is (3-bromophenyl)methanesulfonamide.
What is the SMILES notation for (3-bromophenyl)methanesulfonamide?
The canonical SMILES for (3-bromophenyl)methanesulfonamide is NS(=O)(=O)Cc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)methanesulfonamide?
The InChIKey is NZPHFPJATRGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11).
What are the key properties of (3-bromophenyl)methanesulfonamide?
(3-bromophenyl)methanesulfonamide has a molecular weight of 250.12 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)methanesulfonamide is sourced from PubChem (CID 50998650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).