5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide

C16H26N2O2S — CID 43256436

IUPAC5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-13-10-11-14(17)12-16(13)21(19,20)18-15-8-6-4-3-5-7-9-15/h10-12,15,18H,2-9,17H2,1H3
InChIKeyNLKZNGXDMLUBCM-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.22
Rot. Bonds4

About 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide

5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide (PubChem CID 43256436) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
PubChem CID43256436
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-13-10-11-14(17)12-16(13)21(19,20)18-15-8-6-4-3-5-7-9-15/h10-12,15,18H,2-9,17H2,1H3
InChIKeyNLKZNGXDMLUBCM-UHFFFAOYSA-N
XLogP3.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.22
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-N-(1,1-dioxothian-3-yl)-2-ethylbenzenesulfonamide
CID 63924074
5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213608
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
CID 79898896
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide (CID 43256436) is 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide?
The InChIKey is NLKZNGXDMLUBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-13-10-11-14(17)12-16(13)21(19,20)18-15-8-6-4-3-5-7-9-15/h10-12,15,18H,2-9,17H2,1H3.
What are the key properties of 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide?
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide is sourced from PubChem (CID 43256436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).