4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide

C14H22Br2N2O2S — CID 106022120

IUPAC4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C14H22Br2N2O2S/c1-3-5-7-11(6-4-2)18-21(19,20)14-12(15)8-10(17)9-13(14)16/h8-9,11,18H,3-7,17H2,1-2H3
InChIKeyYHDNQDZLYFJCQB-UHFFFAOYSA-N
MW442.22 g/mol
LogP4.43
Rot. Bonds8

About 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide

4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide (PubChem CID 106022120) has the molecular formula C14H22Br2N2O2S and a molecular weight of 442.22 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
PubChem CID106022120
Molecular FormulaC14H22Br2N2O2S
Molecular Weight442.22 g/mol
Exact Mass439.98
IUPAC Name4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C14H22Br2N2O2S/c1-3-5-7-11(6-4-2)18-21(19,20)14-12(15)8-10(17)9-13(14)16/h8-9,11,18H,3-7,17H2,1-2H3
InChIKeyYHDNQDZLYFJCQB-UHFFFAOYSA-N
XLogP4.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.22
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
CID 43258159
2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide
CID 106025725
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081162
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide
CID 106022168
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708
2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
CID 62198326
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022484
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282
5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
CID 65021029

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide (CID 106022120) is 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide is CCCCC(CCC)NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide?
The InChIKey is YHDNQDZLYFJCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2N2O2S/c1-3-5-7-11(6-4-2)18-21(19,20)14-12(15)8-10(17)9-13(14)16/h8-9,11,18H,3-7,17H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide?
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide has a molecular weight of 442.22 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide is sourced from PubChem (CID 106022120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).