2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide

C22H30N2O2S — CID 3703667

IUPAC2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1C
InChIInChI=1S/C22H30N2O2S/c1-15-16(2)18(4)22(19(5)17(15)3)27(25,26)23-20-9-11-21(12-10-20)24-13-7-6-8-14-24/h9-12,23H,6-8,13-14H2,1-5H3
InChIKeyIQZRBIYMWOSDJD-UHFFFAOYSA-N
MW386.56 g/mol
LogP5.02
Rot. Bonds4

About 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide

2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 3703667) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID3703667
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1C
InChIInChI=1S/C22H30N2O2S/c1-15-16(2)18(4)22(19(5)17(15)3)27(25,26)23-20-9-11-21(12-10-20)24-13-7-6-8-14-24/h9-12,23H,6-8,13-14H2,1-5H3
InChIKeyIQZRBIYMWOSDJD-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
4-methoxy-2,3-dimethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 100516902
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
N-(4-piperidin-1-ylphenyl)morpholine-4-sulfonamide
CID 110706046
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
N-[4-(azepan-1-yl)phenyl]-5-chloro-2-methoxybenzenesulfonamide
CID 112985795

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide (CID 3703667) is 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is IQZRBIYMWOSDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-15-16(2)18(4)22(19(5)17(15)3)27(25,26)23-20-9-11-21(12-10-20)24-13-7-6-8-14-24/h9-12,23H,6-8,13-14H2,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3703667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).