2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide

C11H17Br2N3O2S — CID 62635948

IUPAC2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H17Br2N3O2S/c1-3-16(2)5-4-15-19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,15H,3-5,14H2,1-2H3
InChIKeyOQOMYUKSBKNTRB-UHFFFAOYSA-N
MW415.15 g/mol
LogP2.02
Rot. Bonds6

About 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide

2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 62635948) has the molecular formula C11H17Br2N3O2S and a molecular weight of 415.15 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID62635948
Molecular FormulaC11H17Br2N3O2S
Molecular Weight415.15 g/mol
Exact Mass412.94
IUPAC Name2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C11H17Br2N3O2S/c1-3-16(2)5-4-15-19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,15H,3-5,14H2,1-2H3
InChIKeyOQOMYUKSBKNTRB-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[benzyl(methyl)amino]propyl]-4,6-dibromobenzenesulfonamide
CID 113222919
2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
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-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
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-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
5-bromo-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 62045684
2-amino-4,6-dibromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102991009
2-amino-4,6-dibromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 61126563
2-amino-4,6-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 115989060

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide (CID 62635948) is 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide is CCN(C)CCNS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is OQOMYUKSBKNTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Br2N3O2S/c1-3-16(2)5-4-15-19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7,15H,3-5,14H2,1-2H3.
What are the key properties of 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide?
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 415.15 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62635948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).