5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide

C15H23FN2O2S — CID 79898896

IUPAC5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C15H23FN2O2S/c1-11-14(16)9-12(17)10-15(11)21(19,20)18-13-7-5-3-2-4-6-8-13/h9-10,13,18H,2-8,17H2,1H3
InChIKeyXDHRWIMFDOBAIG-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.11
Rot. Bonds3

About 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 79898896) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
PubChem CID79898896
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C15H23FN2O2S/c1-11-14(16)9-12(17)10-15(11)21(19,20)18-13-7-5-3-2-4-6-8-13/h9-10,13,18H,2-8,17H2,1H3
InChIKeyXDHRWIMFDOBAIG-UHFFFAOYSA-N
XLogP3.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.11
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-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062299
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 43510377
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
CID 43256436
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide (CID 79898896) is 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is XDHRWIMFDOBAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-14(16)9-12(17)10-15(11)21(19,20)18-13-7-5-3-2-4-6-8-13/h9-10,13,18H,2-8,17H2,1H3.
What are the key properties of 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 79898896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).