N-cyclooctylbenzenesulfonamide

C14H21NO2S — CID 879701

IUPACN-cyclooctylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccccc1
InChIInChI=1S/C14H21NO2S/c16-18(17,14-11-7-4-8-12-14)15-13-9-5-2-1-3-6-10-13/h4,7-8,11-13,15H,1-3,5-6,9-10H2
InChIKeyOSNSFTACGYWGRU-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.08
Rot. Bonds3

About N-cyclooctylbenzenesulfonamide

N-cyclooctylbenzenesulfonamide (PubChem CID 879701) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-cyclooctylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctylbenzenesulfonamide
PubChem CID879701
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-cyclooctylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccccc1
InChIInChI=1S/C14H21NO2S/c16-18(17,14-11-7-4-8-12-14)15-13-9-5-2-1-3-6-10-13/h4,7-8,11-13,15H,1-3,5-6,9-10H2
InChIKeyOSNSFTACGYWGRU-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctylbenzenesulfonamide?
The IUPAC name of N-cyclooctylbenzenesulfonamide (CID 879701) is N-cyclooctylbenzenesulfonamide.
What is the SMILES notation for N-cyclooctylbenzenesulfonamide?
The canonical SMILES for N-cyclooctylbenzenesulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccccc1.
What is the InChIKey of N-cyclooctylbenzenesulfonamide?
The InChIKey is OSNSFTACGYWGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-18(17,14-11-7-4-8-12-14)15-13-9-5-2-1-3-6-10-13/h4,7-8,11-13,15H,1-3,5-6,9-10H2.
What are the key properties of N-cyclooctylbenzenesulfonamide?
N-cyclooctylbenzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctylbenzenesulfonamide is sourced from PubChem (CID 879701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).