2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide

C10H14Br2N2O4S2 — CID 61125249

IUPAC2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O4S2/c1-19(15,16)4-2-3-14-20(17,18)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyXELVMXSZQYJNBM-UHFFFAOYSA-N
MW450.17 g/mol
LogP1.51
Rot. Bonds6

About 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide

2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide (PubChem CID 61125249) has the molecular formula C10H14Br2N2O4S2 and a molecular weight of 450.17 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
PubChem CID61125249
Molecular FormulaC10H14Br2N2O4S2
Molecular Weight450.17 g/mol
Exact Mass447.88
IUPAC Name2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C10H14Br2N2O4S2/c1-19(15,16)4-2-3-14-20(17,18)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyXELVMXSZQYJNBM-UHFFFAOYSA-N
XLogP1.51
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.17
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)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-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63983511
5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
CID 106233643
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62635948
2-amino-N-[3-[benzyl(methyl)amino]propyl]-4,6-dibromobenzenesulfonamide
CID 113222919
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
2-amino-4,6-dibromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 61126563
1-(2-amino-4,6-dibromophenyl)sulfonyl-3-butylurea
CID 116645739
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 43371478
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide (CID 61125249) is 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide is CS(=O)(=O)CCCNS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide?
The InChIKey is XELVMXSZQYJNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O4S2/c1-19(15,16)4-2-3-14-20(17,18)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide has a molecular weight of 450.17 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide is sourced from PubChem (CID 61125249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).