N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide

C16H25FN2O4S — CID 120666342

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCC2NCCCC2(C)C)cc1OC
InChIInChI=1S/C16H25FN2O4S/c1-16(2)6-5-7-18-15(16)10-19-24(20,21)14-9-13(23-4)12(22-3)8-11(14)17/h8-9,15,18-19H,5-7,10H2,1-4H3
InChIKeyRWPFJFPFFDDCDQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.90
Rot. Bonds6

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide (PubChem CID 120666342) has the molecular formula C16H25FN2O4S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
PubChem CID120666342
Molecular FormulaC16H25FN2O4S
Molecular Weight360.45 g/mol
Exact Mass360.15
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCC2NCCCC2(C)C)cc1OC
InChIInChI=1S/C16H25FN2O4S/c1-16(2)6-5-7-18-15(16)10-19-24(20,21)14-9-13(23-4)12(22-3)8-11(14)17/h8-9,15,18-19H,5-7,10H2,1-4H3
InChIKeyRWPFJFPFFDDCDQ-UHFFFAOYSA-N
XLogP1.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide (CID 120666342) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide is COc1cc(F)c(S(=O)(=O)NCC2NCCCC2(C)C)cc1OC.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide?
The InChIKey is RWPFJFPFFDDCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O4S/c1-16(2)6-5-7-18-15(16)10-19-24(20,21)14-9-13(23-4)12(22-3)8-11(14)17/h8-9,15,18-19H,5-7,10H2,1-4H3.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide has a molecular weight of 360.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 120666342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).