2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C23H30N2O3S — CID 984371

IUPAC2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1C
InChIInChI=1S/C23H30N2O3S/c1-16-14-17(2)19(4)22(18(16)3)29(27,28)24-15-20-8-10-21(11-9-20)23(26)25-12-6-5-7-13-25/h8-11,14,24H,5-7,12-13,15H2,1-4H3
InChIKeyUWVQKKSGKGWOGB-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.02
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 984371) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID984371
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1C
InChIInChI=1S/C23H30N2O3S/c1-16-14-17(2)19(4)22(18(16)3)29(27,28)24-15-20-8-10-21(11-9-20)23(26)25-12-6-5-7-13-25/h8-11,14,24H,5-7,12-13,15H2,1-4H3
InChIKeyUWVQKKSGKGWOGB-UHFFFAOYSA-N
XLogP4.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 984371) is 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is UWVQKKSGKGWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-16-14-17(2)19(4)22(18(16)3)29(27,28)24-15-20-8-10-21(11-9-20)23(26)25-12-6-5-7-13-25/h8-11,14,24H,5-7,12-13,15H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 984371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).