2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide

C16H26N2O4S — CID 94025297

IUPAC2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCN2CCCC[C@H]2C)c1
InChIInChI=1S/C16H26N2O4S/c1-13-6-4-5-10-18(13)11-9-17-23(19,20)16-12-14(21-2)7-8-15(16)22-3/h7-8,12-13,17H,4-6,9-11H2,1-3H3/t13-/m1/s1
InChIKeyBZDFJECFSFALOC-CYBMUJFWSA-N
MW342.46 g/mol
LogP1.86
Rot. Bonds7

About 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide

2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide (PubChem CID 94025297) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
PubChem CID94025297
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCN2CCCC[C@H]2C)c1
InChIInChI=1S/C16H26N2O4S/c1-13-6-4-5-10-18(13)11-9-17-23(19,20)16-12-14(21-2)7-8-15(16)22-3/h7-8,12-13,17H,4-6,9-11H2,1-3H3/t13-/m1/s1
InChIKeyBZDFJECFSFALOC-CYBMUJFWSA-N
XLogP1.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722666
2,5-dimethoxy-N-(2-methyl-2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112504854
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541
N-[2-(2-methylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 47206387
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]thiophene-2-sulfonamide
CID 94197160
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789260

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide (CID 94025297) is 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCN2CCCC[C@H]2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
The InChIKey is BZDFJECFSFALOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13-6-4-5-10-18(13)11-9-17-23(19,20)16-12-14(21-2)7-8-15(16)22-3/h7-8,12-13,17H,4-6,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 94025297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).