4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C24H32N2O3S — CID 4787864

IUPAC4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O3S/c1-18-13-15-26(16-14-18)23(27)20-7-5-19(6-8-20)17-25-30(28,29)22-11-9-21(10-12-22)24(2,3)4/h5-12,18,25H,13-17H2,1-4H3
InChIKeyPAHHEIKTDSPWGK-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.33
Rot. Bonds5

About 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 4787864) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID4787864
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O3S/c1-18-13-15-26(16-14-18)23(27)20-7-5-19(6-8-20)17-25-30(28,29)22-11-9-21(10-12-22)24(2,3)4/h5-12,18,25H,13-17H2,1-4H3
InChIKeyPAHHEIKTDSPWGK-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 4787864) is 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is CC1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PAHHEIKTDSPWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18-13-15-26(16-14-18)23(27)20-7-5-19(6-8-20)17-25-30(28,29)22-11-9-21(10-12-22)24(2,3)4/h5-12,18,25H,13-17H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 428.60 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 4787864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).