N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide

C28H32N2O3S — CID 2214828

IUPACN-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C28H32N2O3S/c1-21-8-9-22(2)27(18-21)34(32,33)29-20-25-10-12-26(13-11-25)28(31)30-16-14-24(15-17-30)19-23-6-4-3-5-7-23/h3-13,18,24,29H,14-17,19-20H2,1-2H3
InChIKeyUNGIWEBNURVRCQ-UHFFFAOYSA-N
MW476.64 g/mol
LogP4.88
Rot. Bonds7

About N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide

N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 2214828) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID2214828
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C28H32N2O3S/c1-21-8-9-22(2)27(18-21)34(32,33)29-20-25-10-12-26(13-11-25)28(31)30-16-14-24(15-17-30)19-23-6-4-3-5-7-23/h3-13,18,24,29H,14-17,19-20H2,1-2H3
InChIKeyUNGIWEBNURVRCQ-UHFFFAOYSA-N
XLogP4.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide (CID 2214828) is N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is UNGIWEBNURVRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-21-8-9-22(2)27(18-21)34(32,33)29-20-25-10-12-26(13-11-25)28(31)30-16-14-24(15-17-30)19-23-6-4-3-5-7-23/h3-13,18,24,29H,14-17,19-20H2,1-2H3.
What are the key properties of N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide?
N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 476.64 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2214828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).