3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide

C15H23FN2O2S — CID 107325531

IUPAC3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H23FN2O2S/c1-10-9-13(16)14(17)11(2)15(10)21(19,20)18(3)12-7-5-4-6-8-12/h9,12H,4-8,17H2,1-3H3
InChIKeyRMYOUCJPYOMFQC-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.98
Rot. Bonds3

About 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide

3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide (PubChem CID 107325531) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
PubChem CID107325531
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H23FN2O2S/c1-10-9-13(16)14(17)11(2)15(10)21(19,20)18(3)12-7-5-4-6-8-12/h9,12H,4-8,17H2,1-3H3
InChIKeyRMYOUCJPYOMFQC-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclobutyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326206
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503761
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide
CID 65021039
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107325691
3-amino-N-(2,2-difluoroethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326195
3-amino-4-fluoro-N-(2-hydroxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107325795
5-amino-4-bromo-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 114625046

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide (CID 107325531) is 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide is Cc1cc(F)c(N)c(C)c1S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is RMYOUCJPYOMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10-9-13(16)14(17)11(2)15(10)21(19,20)18(3)12-7-5-4-6-8-12/h9,12H,4-8,17H2,1-3H3.
What are the key properties of 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107325531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).