5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide

C15H23BrN2O2S — CID 114624962

IUPAC5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C15H23BrN2O2S/c1-11-9-13(16)14(17)10-15(11)21(19,20)18-12-7-5-3-2-4-6-8-12/h9-10,12,18H,2-8,17H2,1H3
InChIKeyAAOFMCXBPBGWMT-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.73
Rot. Bonds3

About 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide

5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide (PubChem CID 114624962) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
PubChem CID114624962
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C15H23BrN2O2S/c1-11-9-13(16)14(17)10-15(11)21(19,20)18-12-7-5-3-2-4-6-8-12/h9-10,12,18H,2-8,17H2,1H3
InChIKeyAAOFMCXBPBGWMT-UHFFFAOYSA-N
XLogP3.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.73
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

5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-methylbenzenesulfonamide
CID 114625209
5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114626345
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
CID 79898896

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide (CID 114624962) is 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide?
The InChIKey is AAOFMCXBPBGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-11-9-13(16)14(17)10-15(11)21(19,20)18-12-7-5-3-2-4-6-8-12/h9-10,12,18H,2-8,17H2,1H3.
What are the key properties of 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide?
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 114624962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).