N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide

C22H30N2O2S — CID 46055235

IUPACN-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(CC(C)C)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O2S/c1-18(2)17-23-15-13-21(14-16-23)24(20-11-9-19(3)10-12-20)27(25,26)22-7-5-4-6-8-22/h4-12,18,21H,13-17H2,1-3H3
InChIKeyXHLSEPFSGBFLEU-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.31
Rot. Bonds6

About N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide

N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 46055235) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
PubChem CID46055235
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(CC(C)C)CC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H30N2O2S/c1-18(2)17-23-15-13-21(14-16-23)24(20-11-9-19(3)10-12-20)27(25,26)22-7-5-4-6-8-22/h4-12,18,21H,13-17H2,1-3H3
InChIKeyXHLSEPFSGBFLEU-UHFFFAOYSA-N
XLogP4.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide (CID 46055235) is N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(N(C2CCN(CC(C)C)CC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is XHLSEPFSGBFLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-18(2)17-23-15-13-21(14-16-23)24(20-11-9-19(3)10-12-20)27(25,26)22-7-5-4-6-8-22/h4-12,18,21H,13-17H2,1-3H3.
What are the key properties of N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide?
N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46055235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).