N-cyclooctyl-2-nitrobenzenesulfonamide

C14H20N2O4S — CID 814232

IUPACN-cyclooctyl-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C14H20N2O4S/c17-16(18)13-10-6-7-11-14(13)21(19,20)15-12-8-4-2-1-3-5-9-12/h6-7,10-12,15H,1-5,8-9H2
InChIKeyWTVCSVAQQCCHLN-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.99
Rot. Bonds4

About N-cyclooctyl-2-nitrobenzenesulfonamide

N-cyclooctyl-2-nitrobenzenesulfonamide (PubChem CID 814232) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-cyclooctyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-2-nitrobenzenesulfonamide
PubChem CID814232
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-cyclooctyl-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C14H20N2O4S/c17-16(18)13-10-6-7-11-14(13)21(19,20)15-12-8-4-2-1-3-5-9-12/h6-7,10-12,15H,1-5,8-9H2
InChIKeyWTVCSVAQQCCHLN-UHFFFAOYSA-N
XLogP2.99
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Nitrobenzenesulfonamide
CID 138510
N-Hydroxy-2-nitrobenzenesulfonamide
CID 23645544
N-Methyl-4-nitrobenzenesulfonamide
CID 232993
2-Ethyl-1-[(2-nitrophenyl)sulfonyl]piperidine
CID 622835
N-cyclopentyl-2-nitrobenzenesulfonamide
CID 2058492
4-nitro-N-(3-phenylpropyl)benzenesulfonamide
CID 1756834
Benzenesulfonamide, N-cyclohexyl-N-methyl-2-nitro-
CID 116813
N-methyl-2-nitrobenzene-1-sulfonamide
CID 264906
1-(2-Nitrobenzenesulfonyl)piperazine
CID 746514
N-Diaminomethylene-2-nitro-benzenesulfonamide
CID 313890
N-[2-(1-cyclohexen-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 805384
1-(2-Nitro benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 44245423

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-cyclooctyl-2-nitrobenzenesulfonamide (CID 814232) is N-cyclooctyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclooctyl-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-nitrobenzenesulfonamide?
The InChIKey is WTVCSVAQQCCHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-16(18)13-10-6-7-11-14(13)21(19,20)15-12-8-4-2-1-3-5-9-12/h6-7,10-12,15H,1-5,8-9H2.
What are the key properties of N-cyclooctyl-2-nitrobenzenesulfonamide?
N-cyclooctyl-2-nitrobenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 814232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).