N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide

C16H25Br2NO3S — CID 20587162

IUPACN-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide
SMILESCCCCCCCCCCS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H25Br2NO3S/c1-2-3-4-5-6-7-8-9-10-23(21,22)19-13-11-14(17)16(20)15(18)12-13/h11-12,19-20H,2-10H2,1H3
InChIKeyKOAJHYIQZHJEED-UHFFFAOYSA-N
MW471.26 g/mol
LogP5.80
Rot. Bonds11

About N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide

N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide (PubChem CID 20587162) has the molecular formula C16H25Br2NO3S and a molecular weight of 471.26 g/mol. Its IUPAC name is N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide
PubChem CID20587162
Molecular FormulaC16H25Br2NO3S
Molecular Weight471.26 g/mol
Exact Mass468.99
IUPAC NameN-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide
SMILESCCCCCCCCCCS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C16H25Br2NO3S/c1-2-3-4-5-6-7-8-9-10-23(21,22)19-13-11-14(17)16(20)15(18)12-13/h11-12,19-20H,2-10H2,1H3
InChIKeyKOAJHYIQZHJEED-UHFFFAOYSA-N
XLogP5.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.26
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide?
The IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide (CID 20587162) is N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide.
What is the SMILES notation for N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide?
The canonical SMILES for N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide is CCCCCCCCCCS(=O)(=O)Nc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide?
The InChIKey is KOAJHYIQZHJEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br2NO3S/c1-2-3-4-5-6-7-8-9-10-23(21,22)19-13-11-14(17)16(20)15(18)12-13/h11-12,19-20H,2-10H2,1H3.
What are the key properties of N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide?
N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide has a molecular weight of 471.26 g/mol, XLogP of 5.80, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-hydroxyphenyl)decane-1-sulfonamide is sourced from PubChem (CID 20587162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).