N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid

C21H29ClN4O7S — CID 651679

IUPACN,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(c3ccccn3)CC2)cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C21H28N4O3S.ClHO4/c1-18-8-10-19(11-9-18)29(27,28)23(2)13-5-7-21(26)25-16-14-24(15-17-25)20-6-3-4-12-22-20;2-1(3,4)5/h3-4,6,8-12H,5,7,13-17H2,1-2H3;(H,2,3,4,5)
InChIKeyWYHPNWDRWWBLFV-UHFFFAOYSA-N
MW517.00 g/mol
LogP-1.98
Rot. Bonds7

About N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid

N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid (PubChem CID 651679) has the molecular formula C21H29ClN4O7S and a molecular weight of 517.00 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid
PubChem CID651679
Molecular FormulaC21H29ClN4O7S
Molecular Weight517.00 g/mol
Exact Mass516.14
IUPAC NameN,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(c3ccccn3)CC2)cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C21H28N4O3S.ClHO4/c1-18-8-10-19(11-9-18)29(27,28)23(2)13-5-7-21(26)25-16-14-24(15-17-25)20-6-3-4-12-22-20;2-1(3,4)5/h3-4,6,8-12H,5,7,13-17H2,1-2H3;(H,2,3,4,5)
InChIKeyWYHPNWDRWWBLFV-UHFFFAOYSA-N
XLogP-1.98
TPSA163.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.00
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid 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,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid?
The IUPAC name of N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid (CID 651679) is N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid.
What is the SMILES notation for N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid?
The canonical SMILES for N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid is Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(c3ccccn3)CC2)cc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid?
The InChIKey is WYHPNWDRWWBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S.ClHO4/c1-18-8-10-19(11-9-18)29(27,28)23(2)13-5-7-21(26)25-16-14-24(15-17-25)20-6-3-4-12-22-20;2-1(3,4)5/h3-4,6,8-12H,5,7,13-17H2,1-2H3;(H,2,3,4,5).
What are the key properties of N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid?
N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid has a molecular weight of 517.00 g/mol, XLogP of -1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide;perchloric acid is sourced from PubChem (CID 651679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).