N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide

C24H32N2O3S — CID 154453764

IUPACN-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide
SMILESCC1CCCC(C)N1CCC1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C24H32N2O3S/c1-18-7-6-8-19(2)26(18)16-15-22-14-12-20-11-13-21(17-24(20)29-22)25-30(27,28)23-9-4-3-5-10-23/h3-5,9-11,13,17-19,22,25H,6-8,12,14-16H2,1-2H3
InChIKeyZPIXZJRWZHCTQC-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.83
Rot. Bonds6

About N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide

N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide (PubChem CID 154453764) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide
PubChem CID154453764
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide
SMILESCC1CCCC(C)N1CCC1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C24H32N2O3S/c1-18-7-6-8-19(2)26(18)16-15-22-14-12-20-11-13-21(17-24(20)29-22)25-30(27,28)23-9-4-3-5-10-23/h3-5,9-11,13,17-19,22,25H,6-8,12,14-16H2,1-2H3
InChIKeyZPIXZJRWZHCTQC-UHFFFAOYSA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide (CID 154453764) is N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide is CC1CCCC(C)N1CCC1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2O1.
What is the InChIKey of N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide?
The InChIKey is ZPIXZJRWZHCTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18-7-6-8-19(2)26(18)16-15-22-14-12-20-11-13-21(17-24(20)29-22)25-30(27,28)23-9-4-3-5-10-23/h3-5,9-11,13,17-19,22,25H,6-8,12,14-16H2,1-2H3.
What are the key properties of N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide?
N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide has a molecular weight of 428.60 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide is sourced from PubChem (CID 154453764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).