2,3-dibromo-N-decylbenzenesulfonamide

C16H25Br2NO2S — CID 19782290

IUPAC2,3-dibromo-N-decylbenzenesulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)c1cccc(Br)c1Br
InChIInChI=1S/C16H25Br2NO2S/c1-2-3-4-5-6-7-8-9-13-19-22(20,21)15-12-10-11-14(17)16(15)18/h10-12,19H,2-9,13H2,1H3
InChIKeyOODNDKXLUSKTRI-UHFFFAOYSA-N
MW455.26 g/mol
LogP5.63
Rot. Bonds11

About 2,3-dibromo-N-decylbenzenesulfonamide

2,3-dibromo-N-decylbenzenesulfonamide (PubChem CID 19782290) has the molecular formula C16H25Br2NO2S and a molecular weight of 455.26 g/mol. Its IUPAC name is 2,3-dibromo-N-decylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dibromo-N-decylbenzenesulfonamide
PubChem CID19782290
Molecular FormulaC16H25Br2NO2S
Molecular Weight455.26 g/mol
Exact Mass453.00
IUPAC Name2,3-dibromo-N-decylbenzenesulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)c1cccc(Br)c1Br
InChIInChI=1S/C16H25Br2NO2S/c1-2-3-4-5-6-7-8-9-13-19-22(20,21)15-12-10-11-14(17)16(15)18/h10-12,19H,2-9,13H2,1H3
InChIKeyOODNDKXLUSKTRI-UHFFFAOYSA-N
XLogP5.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.26
LogP ≤ 55.63
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-octylbenzenesulfonamide
CID 19782260
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
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
3-amino-2-bromo-5-chloro-N-hexylbenzenesulfonamide
CID 55153848

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-N-decylbenzenesulfonamide?
The IUPAC name of 2,3-dibromo-N-decylbenzenesulfonamide (CID 19782290) is 2,3-dibromo-N-decylbenzenesulfonamide.
What is the SMILES notation for 2,3-dibromo-N-decylbenzenesulfonamide?
The canonical SMILES for 2,3-dibromo-N-decylbenzenesulfonamide is CCCCCCCCCCNS(=O)(=O)c1cccc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-N-decylbenzenesulfonamide?
The InChIKey is OODNDKXLUSKTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2NO2S/c1-2-3-4-5-6-7-8-9-13-19-22(20,21)15-12-10-11-14(17)16(15)18/h10-12,19H,2-9,13H2,1H3.
What are the key properties of 2,3-dibromo-N-decylbenzenesulfonamide?
2,3-dibromo-N-decylbenzenesulfonamide has a molecular weight of 455.26 g/mol, XLogP of 5.63, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N-decylbenzenesulfonamide is sourced from PubChem (CID 19782290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).