N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide

C22H32N4O4S2 — CID 118527010

IUPACN-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C22H32N4O4S2/c1-19(2)18-26(12-11-20-7-5-4-6-8-20)32(29,30)21-9-10-22(23-17-21)24-13-15-25(16-14-24)31(3,27)28/h4-10,17,19H,11-16,18H2,1-3H3
InChIKeyGHQZDNUYKXKRSE-UHFFFAOYSA-N
MW480.66 g/mol
LogP2.05
Rot. Bonds9

About N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide

N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide (PubChem CID 118527010) has the molecular formula C22H32N4O4S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide
PubChem CID118527010
Molecular FormulaC22H32N4O4S2
Molecular Weight480.66 g/mol
Exact Mass480.19
IUPAC NameN-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide
SMILESCC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C22H32N4O4S2/c1-19(2)18-26(12-11-20-7-5-4-6-8-20)32(29,30)21-9-10-22(23-17-21)24-13-15-25(16-14-24)31(3,27)28/h4-10,17,19H,11-16,18H2,1-3H3
InChIKeyGHQZDNUYKXKRSE-UHFFFAOYSA-N
XLogP2.05
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide (CID 118527010) is N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide is CC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)nc1.
What is the InChIKey of N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide?
The InChIKey is GHQZDNUYKXKRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S2/c1-19(2)18-26(12-11-20-7-5-4-6-8-20)32(29,30)21-9-10-22(23-17-21)24-13-15-25(16-14-24)31(3,27)28/h4-10,17,19H,11-16,18H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide?
N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide has a molecular weight of 480.66 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 118527010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).