N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide

C20H25ClN2O2S — CID 2729542

IUPACN-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(C)cc1Cl
InChIInChI=1S/C20H25ClN2O2S/c1-15-13-20(16(2)12-19(15)21)26(24,25)22-18-8-10-23(11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,18,22H,8-11,14H2,1-2H3
InChIKeyYQOFKDPHJHSXRL-UHFFFAOYSA-N
MW392.95 g/mol
LogP3.90
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide (PubChem CID 2729542) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
PubChem CID2729542
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(C)cc1Cl
InChIInChI=1S/C20H25ClN2O2S/c1-15-13-20(16(2)12-19(15)21)26(24,25)22-18-8-10-23(11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,18,22H,8-11,14H2,1-2H3
InChIKeyYQOFKDPHJHSXRL-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide (CID 2729542) is N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c(C)cc1Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide?
The InChIKey is YQOFKDPHJHSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-15-13-20(16(2)12-19(15)21)26(24,25)22-18-8-10-23(11-9-18)14-17-6-4-3-5-7-17/h3-7,12-13,18,22H,8-11,14H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-4-chloro-2,5-dimethylbenzenesulfonamide has a molecular weight of 392.95 g/mol, XLogP of 3.90, 5 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)-4-chloro-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2729542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).