4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide

C14H20Br2N2O2S — CID 43258329

IUPAC4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NC2CCCCCCC2)c(Br)c1
InChIInChI=1S/C14H20Br2N2O2S/c15-12-8-10(17)9-13(16)14(12)21(19,20)18-11-6-4-2-1-3-5-7-11/h8-9,11,18H,1-7,17H2
InChIKeyGYIDDTTTYPAZGH-UHFFFAOYSA-N
MW440.20 g/mol
LogP4.18
Rot. Bonds3

About 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide

4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide (PubChem CID 43258329) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
PubChem CID43258329
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NC2CCCCCCC2)c(Br)c1
InChIInChI=1S/C14H20Br2N2O2S/c15-12-8-10(17)9-13(16)14(12)21(19,20)18-11-6-4-2-1-3-5-7-11/h8-9,11,18H,1-7,17H2
InChIKeyGYIDDTTTYPAZGH-UHFFFAOYSA-N
XLogP4.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 54.18
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-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725622
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
CID 79898896
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide (CID 43258329) is 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)NC2CCCCCCC2)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide?
The InChIKey is GYIDDTTTYPAZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c15-12-8-10(17)9-13(16)14(12)21(19,20)18-11-6-4-2-1-3-5-7-11/h8-9,11,18H,1-7,17H2.
What are the key properties of 4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide?
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide has a molecular weight of 440.20 g/mol, XLogP of 4.18, 3 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-cyclooctylbenzenesulfonamide is sourced from PubChem (CID 43258329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).