N-(cyclooctylideneamino)benzenesulfonamide

C14H20N2O2S — CID 881753

IUPACN-(cyclooctylideneamino)benzenesulfonamide
SMILESO=S(=O)(NN=C1CCCCCCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-19(18,14-11-7-4-8-12-14)16-15-13-9-5-2-1-3-6-10-13/h4,7-8,11-12,16H,1-3,5-6,9-10H2
InChIKeyQYSBBOFZQHMNOS-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.07
Rot. Bonds3

About N-(cyclooctylideneamino)benzenesulfonamide

N-(cyclooctylideneamino)benzenesulfonamide (PubChem CID 881753) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(cyclooctylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)benzenesulfonamide
PubChem CID881753
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(cyclooctylideneamino)benzenesulfonamide
SMILESO=S(=O)(NN=C1CCCCCCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-19(18,14-11-7-4-8-12-14)16-15-13-9-5-2-1-3-6-10-13/h4,7-8,11-12,16H,1-3,5-6,9-10H2
InChIKeyQYSBBOFZQHMNOS-UHFFFAOYSA-N
XLogP3.07
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.07
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-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
4-bromo-N-(cyclooctylideneamino)benzenesulfonamide
CID 1012381
4-chloro-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3470758
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
N-nitrosobenzenesulfonamide
CID 57254362
N-[(1-benzylpiperidin-4-ylidene)amino]-4-chlorobenzenesulfonamide
CID 3438181
(cycloheptylideneamino) benzenesulfonate
CID 87078888
N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide
CID 15566974
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939
4-chloro-N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
CID 6376188
N-(2-methylpropylideneamino)benzenesulfonamide
CID 4149632

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)benzenesulfonamide?
The IUPAC name of N-(cyclooctylideneamino)benzenesulfonamide (CID 881753) is N-(cyclooctylideneamino)benzenesulfonamide.
What is the SMILES notation for N-(cyclooctylideneamino)benzenesulfonamide?
The canonical SMILES for N-(cyclooctylideneamino)benzenesulfonamide is O=S(=O)(NN=C1CCCCCCC1)c1ccccc1.
What is the InChIKey of N-(cyclooctylideneamino)benzenesulfonamide?
The InChIKey is QYSBBOFZQHMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-19(18,14-11-7-4-8-12-14)16-15-13-9-5-2-1-3-6-10-13/h4,7-8,11-12,16H,1-3,5-6,9-10H2.
What are the key properties of N-(cyclooctylideneamino)benzenesulfonamide?
N-(cyclooctylideneamino)benzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)benzenesulfonamide is sourced from PubChem (CID 881753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).