N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C16H22FNO2S — CID 107327255

IUPACN-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H22FNO2S/c1-10-7-14(17)8-11(2)16(10)21(19,20)18-9-15(12-3-4-12)13-5-6-13/h7-8,12-13,15,18H,3-6,9H2,1-2H3
InChIKeyWCXRZARUCFXSTQ-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.16
Rot. Bonds6

About N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107327255) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107327255
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC NameN-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H22FNO2S/c1-10-7-14(17)8-11(2)16(10)21(19,20)18-9-15(12-3-4-12)13-5-6-13/h7-8,12-13,15,18H,3-6,9H2,1-2H3
InChIKeyWCXRZARUCFXSTQ-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
N-(2-bromo-3-methylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329395
N-[2-(cyclopropylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328278
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 114107748
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108260
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325826
N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106116377
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
4-fluoro-2,6-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 107328360

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107327255) is N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCC(C1CC1)C1CC1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is WCXRZARUCFXSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c1-10-7-14(17)8-11(2)16(10)21(19,20)18-9-15(12-3-4-12)13-5-6-13/h7-8,12-13,15,18H,3-6,9H2,1-2H3.
What are the key properties of N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 311.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).