N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide

C22H31N3O2S — CID 90201176

IUPACN-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H31N3O2S/c1-19(2)17-25(18-20-7-5-4-6-8-20)28(26,27)22-11-9-21(10-12-22)24-15-13-23(3)14-16-24/h4-12,19H,13-18H2,1-3H3
InChIKeySQXHDGRKPRUJNK-UHFFFAOYSA-N
MW401.58 g/mol
LogP3.29
Rot. Bonds7

About N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide

N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 90201176) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID90201176
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC NameN-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H31N3O2S/c1-19(2)17-25(18-20-7-5-4-6-8-20)28(26,27)22-11-9-21(10-12-22)24-15-13-23(3)14-16-24/h4-12,19H,13-18H2,1-3H3
InChIKeySQXHDGRKPRUJNK-UHFFFAOYSA-N
XLogP3.29
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide 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-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide (CID 90201176) is N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is SQXHDGRKPRUJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-19(2)17-25(18-20-7-5-4-6-8-20)28(26,27)22-11-9-21(10-12-22)24-15-13-23(3)14-16-24/h4-12,19H,13-18H2,1-3H3.
What are the key properties of N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide?
N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 401.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 90201176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).