2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide

C21H28N2O4S — CID 60540087

IUPAC2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C21H28N2O4S/c1-16-6-4-5-7-17(16)15-23-12-10-18(11-13-23)22-28(24,25)21-14-19(26-2)8-9-20(21)27-3/h4-9,14,18,22H,10-13,15H2,1-3H3
InChIKeyHIUOBLKDCSJOOT-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.96
Rot. Bonds7

About 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide

2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 60540087) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID60540087
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C21H28N2O4S/c1-16-6-4-5-7-17(16)15-23-12-10-18(11-13-23)22-28(24,25)21-14-19(26-2)8-9-20(21)27-3/h4-9,14,18,22H,10-13,15H2,1-3H3
InChIKeyHIUOBLKDCSJOOT-UHFFFAOYSA-N
XLogP2.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
3-bromo-5-chloro-2-methoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 55914799
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45017140
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide
CID 6736919
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide (CID 60540087) is 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2CCN(Cc3ccccc3C)CC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is HIUOBLKDCSJOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16-6-4-5-7-17(16)15-23-12-10-18(11-13-23)22-28(24,25)21-14-19(26-2)8-9-20(21)27-3/h4-9,14,18,22H,10-13,15H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 404.53 g/mol, XLogP of 2.96, 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-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 60540087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).