2,3-dibromo-N-octylbenzenesulfonamide

C14H21Br2NO2S — CID 19782260

IUPAC2,3-dibromo-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cccc(Br)c1Br
InChIInChI=1S/C14H21Br2NO2S/c1-2-3-4-5-6-7-11-17-20(18,19)13-10-8-9-12(15)14(13)16/h8-10,17H,2-7,11H2,1H3
InChIKeyYUDGXLAUPJPAKN-UHFFFAOYSA-N
MW427.20 g/mol
LogP4.85
Rot. Bonds9

About 2,3-dibromo-N-octylbenzenesulfonamide

2,3-dibromo-N-octylbenzenesulfonamide (PubChem CID 19782260) has the molecular formula C14H21Br2NO2S and a molecular weight of 427.20 g/mol. Its IUPAC name is 2,3-dibromo-N-octylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dibromo-N-octylbenzenesulfonamide
PubChem CID19782260
Molecular FormulaC14H21Br2NO2S
Molecular Weight427.20 g/mol
Exact Mass424.97
IUPAC Name2,3-dibromo-N-octylbenzenesulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cccc(Br)c1Br
InChIInChI=1S/C14H21Br2NO2S/c1-2-3-4-5-6-7-11-17-20(18,19)13-10-8-9-12(15)14(13)16/h8-10,17H,2-7,11H2,1H3
InChIKeyYUDGXLAUPJPAKN-UHFFFAOYSA-N
XLogP4.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.20
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-N-decylbenzenesulfonamide
CID 19782290
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
3-(aminomethyl)-2-methyl-N-pentylbenzenesulfonamide
CID 106058253
N-(4-aminobutyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120583575
N-octyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 19681346
N-tridecylbenzenesulfonamide
CID 3514704
2,6-dibromo-N-decylaniline
CID 107599083
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-N-octylbenzenesulfonamide?
The IUPAC name of 2,3-dibromo-N-octylbenzenesulfonamide (CID 19782260) is 2,3-dibromo-N-octylbenzenesulfonamide.
What is the SMILES notation for 2,3-dibromo-N-octylbenzenesulfonamide?
The canonical SMILES for 2,3-dibromo-N-octylbenzenesulfonamide is CCCCCCCCNS(=O)(=O)c1cccc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-N-octylbenzenesulfonamide?
The InChIKey is YUDGXLAUPJPAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO2S/c1-2-3-4-5-6-7-11-17-20(18,19)13-10-8-9-12(15)14(13)16/h8-10,17H,2-7,11H2,1H3.
What are the key properties of 2,3-dibromo-N-octylbenzenesulfonamide?
2,3-dibromo-N-octylbenzenesulfonamide has a molecular weight of 427.20 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N-octylbenzenesulfonamide is sourced from PubChem (CID 19782260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).