2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide

C13H13Br2N3O2S — CID 43523955

IUPAC2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(N)cc(Br)cc1Br)c1ccncc1
InChIInChI=1S/C13H13Br2N3O2S/c1-8(9-2-4-17-5-3-9)18-21(19,20)13-11(15)6-10(14)7-12(13)16/h2-8,18H,16H2,1H3
InChIKeyIIPQBANWWVGUMA-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.23
Rot. Bonds4

About 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide

2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 43523955) has the molecular formula C13H13Br2N3O2S and a molecular weight of 435.14 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID43523955
Molecular FormulaC13H13Br2N3O2S
Molecular Weight435.14 g/mol
Exact Mass432.91
IUPAC Name2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(N)cc(Br)cc1Br)c1ccncc1
InChIInChI=1S/C13H13Br2N3O2S/c1-8(9-2-4-17-5-3-9)18-21(19,20)13-11(15)6-10(14)7-12(13)16/h2-8,18H,16H2,1H3
InChIKeyIIPQBANWWVGUMA-UHFFFAOYSA-N
XLogP3.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 53.23
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-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577463
2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
CID 62198326
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523979
3-amino-4-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 115421229
3-amino-5-chloro-2-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 114378879
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-sulfonamide
CID 45366402
5-amino-2-fluoro-3-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 80628123
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
2-amino-4,6-dibromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304710

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide (CID 43523955) is 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1c(N)cc(Br)cc1Br)c1ccncc1.
What is the InChIKey of 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is IIPQBANWWVGUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2S/c1-8(9-2-4-17-5-3-9)18-21(19,20)13-11(15)6-10(14)7-12(13)16/h2-8,18H,16H2,1H3.
What are the key properties of 2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(1-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.23, 4 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-(1-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43523955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).