4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide

C13H13Br2N3O2S — CID 106934536

IUPAC4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H13Br2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(14)7-9(16)8-12(13)15/h3-8H,2,16H2,1H3
InChIKeyPOEHKFUFERUNPI-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.40
Rot. Bonds4

About 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide

4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934536) has the molecular formula C13H13Br2N3O2S and a molecular weight of 435.14 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934536
Molecular FormulaC13H13Br2N3O2S
Molecular Weight435.14 g/mol
Exact Mass432.91
IUPAC Name4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H13Br2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(14)7-9(16)8-12(13)15/h3-8H,2,16H2,1H3
InChIKeyPOEHKFUFERUNPI-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-2,6-difluoro-N-pyridin-4-ylbenzenesulfonamide
CID 106934579
2,5-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 103744756
2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934561
2,5-dibromo-N-ethyl-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 103768572
4-amino-2,6-dibromo-N,N-diethylbenzenesulfonamide
CID 43256888
2-amino-N-ethyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937084
5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 103768575
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
N-(4-aminophenyl)-4-bromo-N-ethylbenzenesulfonamide
CID 63233827
4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564889

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide (CID 106934536) is 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide is CCN(c1ccncc1)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is POEHKFUFERUNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O2S/c1-2-18(10-3-5-17-6-4-10)21(19,20)13-11(14)7-9(16)8-12(13)15/h3-8H,2,16H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide?
4-amino-2,6-dibromo-N-ethyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.40, 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-ethyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).