N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H22FNO2S — CID 107326676

IUPACN-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C15H22FNO2S/c1-11-9-13(16)10-12(2)15(11)20(18,19)17-14-7-5-3-4-6-8-14/h9-10,14,17H,3-8H2,1-2H3
InChIKeyLYLVWLMRCVHDPV-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.44
Rot. Bonds3

About N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide

N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326676) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326676
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC NameN-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C15H22FNO2S/c1-11-9-13(16)10-12(2)15(11)20(18,19)17-14-7-5-3-4-6-8-14/h9-10,14,17H,3-8H2,1-2H3
InChIKeyLYLVWLMRCVHDPV-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
N-(2-chlorocyclohexyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329314
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585309
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 107327667
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326676) is N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is LYLVWLMRCVHDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-11-9-13(16)10-12(2)15(11)20(18,19)17-14-7-5-3-4-6-8-14/h9-10,14,17H,3-8H2,1-2H3.
What are the key properties of N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 299.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).