2,4-dibromo-N-(thian-3-yl)benzenesulfonamide

C11H13Br2NO2S2 — CID 113250007

IUPAC2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCSC1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO2S2/c12-8-3-4-11(10(13)6-8)18(15,16)14-9-2-1-5-17-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyOTEAYFDUVNGJML-UHFFFAOYSA-N
MW415.17 g/mol
LogP3.39
Rot. Bonds3

About 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide

2,4-dibromo-N-(thian-3-yl)benzenesulfonamide (PubChem CID 113250007) has the molecular formula C11H13Br2NO2S2 and a molecular weight of 415.17 g/mol. Its IUPAC name is 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
PubChem CID113250007
Molecular FormulaC11H13Br2NO2S2
Molecular Weight415.17 g/mol
Exact Mass412.88
IUPAC Name2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCSC1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO2S2/c12-8-3-4-11(10(13)6-8)18(15,16)14-9-2-1-5-17-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKeyOTEAYFDUVNGJML-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.17
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-4-methyl-N-(thian-3-yl)benzenesulfonamide
CID 115698659
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106492099
2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dibromobenzenesulfonamide
CID 61233306
5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081605
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
N-(thian-3-yl)benzenesulfonamide
CID 115675274
2-bromo-5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081522
2,4-dibromo-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 61061159
2-bromo-4-(propylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086331

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide (CID 113250007) is 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide is O=S(=O)(NC1CCCSC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide?
The InChIKey is OTEAYFDUVNGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2S2/c12-8-3-4-11(10(13)6-8)18(15,16)14-9-2-1-5-17-7-9/h3-4,6,9,14H,1-2,5,7H2.
What are the key properties of 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide?
2,4-dibromo-N-(thian-3-yl)benzenesulfonamide has a molecular weight of 415.17 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(thian-3-yl)benzenesulfonamide is sourced from PubChem (CID 113250007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).