4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H13Br2N3O2S — CID 43564889

IUPAC4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H13Br2N3O2S/c1-18(8-10-4-2-3-5-17-10)21(19,20)13-11(14)6-9(16)7-12(13)15/h2-7H,8,16H2,1H3
InChIKeyMDVFXHYQXOXQIK-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.01
Rot. Bonds4

About 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 43564889) has the molecular formula C13H13Br2N3O2S and a molecular weight of 435.14 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID43564889
Molecular FormulaC13H13Br2N3O2S
Molecular Weight435.14 g/mol
Exact Mass432.91
IUPAC Name4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H13Br2N3O2S/c1-18(8-10-4-2-3-5-17-10)21(19,20)13-11(14)6-9(16)7-12(13)15/h2-7H,8,16H2,1H3
InChIKeyMDVFXHYQXOXQIK-UHFFFAOYSA-N
XLogP3.01
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)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-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 47257761
3-amino-2-bromo-5-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 62957761
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918
5-amino-N,3-dimethyl-N-(pyridin-2-ylmethyl)imidazole-4-sulfonamide
CID 63979640
3-amino-4-fluoro-N,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 115421252
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
2-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
CID 61004828
5-amino-2-chloro-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61113797
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 63666756
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 43564889) is 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CN(Cc1ccccn1)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is MDVFXHYQXOXQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2S/c1-18(8-10-4-2-3-5-17-10)21(19,20)13-11(14)6-9(16)7-12(13)15/h2-7H,8,16H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43564889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).