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

C16H24FNO2S — CID 107326759

IUPACN-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)C1CCCCCC1
InChIInChI=1S/C16H24FNO2S/c1-12-10-14(17)11-13(2)16(12)21(19,20)18(3)15-8-6-4-5-7-9-15/h10-11,15H,4-9H2,1-3H3
InChIKeySYHABMXMILZXDK-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.79
Rot. Bonds3

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

N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide (PubChem CID 107326759) has the molecular formula C16H24FNO2S and a molecular weight of 313.44 g/mol. Its IUPAC name is N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
PubChem CID107326759
Molecular FormulaC16H24FNO2S
Molecular Weight313.44 g/mol
Exact Mass313.15
IUPAC NameN-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(C)C1CCCCCC1
InChIInChI=1S/C16H24FNO2S/c1-12-10-14(17)11-13(2)16(12)21(19,20)18(3)15-8-6-4-5-7-9-15/h10-11,15H,4-9H2,1-3H3
InChIKeySYHABMXMILZXDK-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N,2,6-trimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 107326757
3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107325531
N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide
CID 55476609
3-amino-N-cyclobutyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326206
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327564
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
N-(azepan-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 107173016
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326745
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
3-amino-N-cyclopentyl-N,2,5,6-tetramethylbenzenesulfonamide
CID 106503761
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The IUPAC name of N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide (CID 107326759) is N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)N(C)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
The InChIKey is SYHABMXMILZXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2S/c1-12-10-14(17)11-13(2)16(12)21(19,20)18(3)15-8-6-4-5-7-9-15/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide?
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide has a molecular weight of 313.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 107326759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).