N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide

C21H28N2O2S — CID 16887788

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C21H28N2O2S/c1-17-8-9-21(14-18(17)2)26(24,25)22-15-19-10-12-23(13-11-19)16-20-6-4-3-5-7-20/h3-9,14,19,22H,10-13,15-16H2,1-2H3
InChIKeyZFQUEXYZBSKMTB-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.49
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 16887788) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID16887788
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C21H28N2O2S/c1-17-8-9-21(14-18(17)2)26(24,25)22-15-19-10-12-23(13-11-19)16-20-6-4-3-5-7-20/h3-9,14,19,22H,10-13,15-16H2,1-2H3
InChIKeyZFQUEXYZBSKMTB-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887941
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
N-(1-benzylpiperidin-4-yl)-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 26691417
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16888199
N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 16887771
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
4-acetyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 74228948
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
3-methyl-4-propoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888154

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide (CID 16887788) is N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1C.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is ZFQUEXYZBSKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-17-8-9-21(14-18(17)2)26(24,25)22-15-19-10-12-23(13-11-19)16-20-6-4-3-5-7-20/h3-9,14,19,22H,10-13,15-16H2,1-2H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 16887788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).