4-bromo-N-(cyclooctylideneamino)benzenesulfonamide

C14H19BrN2O2S — CID 1012381

IUPAC4-bromo-N-(cyclooctylideneamino)benzenesulfonamide
SMILESO=S(=O)(NN=C1CCCCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2S/c15-12-8-10-14(11-9-12)20(18,19)17-16-13-6-4-2-1-3-5-7-13/h8-11,17H,1-7H2
InChIKeyKOAZPFLKASKSTJ-UHFFFAOYSA-N
MW359.29 g/mol
LogP3.83
Rot. Bonds3

About 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide

4-bromo-N-(cyclooctylideneamino)benzenesulfonamide (PubChem CID 1012381) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(cyclooctylideneamino)benzenesulfonamide
PubChem CID1012381
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC Name4-bromo-N-(cyclooctylideneamino)benzenesulfonamide
SMILESO=S(=O)(NN=C1CCCCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2S/c15-12-8-10-14(11-9-12)20(18,19)17-16-13-6-4-2-1-3-5-7-13/h8-11,17H,1-7H2
InChIKeyKOAZPFLKASKSTJ-UHFFFAOYSA-N
XLogP3.83
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclooctylideneamino)benzenesulfonamide
CID 881753
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
4-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzenesulfonamide
CID 5432349
4-bromo-N-(cyclohexylideneamino)aniline
CID 4167253
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-bromo-N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
CID 9121006
4-bromo-N-[(1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]benzenesulfonamide
CID 3887466
4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
CID 6376188
4-tert-butyl-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]benzenesulfonamide
CID 27511993
4-bromo-N-cyclopentyloxybenzenesulfonamide
CID 83229066
4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3470758

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide (CID 1012381) is 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide is O=S(=O)(NN=C1CCCCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide?
The InChIKey is KOAZPFLKASKSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c15-12-8-10-14(11-9-12)20(18,19)17-16-13-6-4-2-1-3-5-7-13/h8-11,17H,1-7H2.
What are the key properties of 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide?
4-bromo-N-(cyclooctylideneamino)benzenesulfonamide has a molecular weight of 359.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclooctylideneamino)benzenesulfonamide is sourced from PubChem (CID 1012381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).