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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trifluorobenzenesulfonamide
CID 120714107
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
5-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]-2-methoxybenzamide;hydrochloride
CID 120666289
methyl 3-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]benzoate;hydrochloride
CID 120666424
N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide
CID 120666406
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide
CID 120666371
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 120670977
4-chloro-N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315562
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091

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).