N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide

C26H33N5O2S — CID 135348441

IUPACN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(C)c1C
InChIInChI=1S/C26H33N5O2S/c1-4-13-34(32,33)30-25-16-21(14-18(2)19(25)3)24-15-22(17-29-26(24)27)20-5-7-23(8-6-20)31-11-9-28-10-12-31/h5-8,14-17,28,30H,4,9-13H2,1-3H3,(H2,27,29)
InChIKeyRHGXDGZANHQCRA-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.18
Rot. Bonds7

About N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide (PubChem CID 135348441) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide
PubChem CID135348441
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC NameN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(C)c1C
InChIInChI=1S/C26H33N5O2S/c1-4-13-34(32,33)30-25-16-21(14-18(2)19(25)3)24-15-22(17-29-26(24)27)20-5-7-23(8-6-20)31-11-9-28-10-12-31/h5-8,14-17,28,30H,4,9-13H2,1-3H3,(H2,27,29)
InChIKeyRHGXDGZANHQCRA-UHFFFAOYSA-N
XLogP4.18
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-(3-Aminoisoquinolin-7-yl)-2,4-difluorophenyl)propane-1-sulfonamide
CID 70696122
5-(4-Piperazin-1-ylphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)pyridin-2-amine
CID 135348376
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methylphenyl]propane-1-sulfonamide
CID 146306976
N-[3-[6-amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155558073
N-(4'-(5-Aminopyrazin-2-yl)-3'-fluoro-[1,1'-biphenyl]-2-yl)propane-2-sulfonamide
CID 77844067
N-[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]ethanesulfonamide
CID 77844068
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]propane-1-sulfonamide
CID 77844069
N-[4'-(5-Aminopyrazin-2-yl)-3'-fluorobiphenyl-2-yl]-2-methylpropane-1-sulfonamide
CID 77844070
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]hexane-1-sulfonamide
CID 77844128
N-[4'-(5-Aminopyrazin-2-yl)-3'-fluoro-2'-methylbiphenyl-2-yl]methanesulfonamide
CID 90312625
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
CID 90313025
N-[2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]phenyl]methanesulfonamide
CID 90313538

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide (CID 135348441) is N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(C)c1C.
What is the InChIKey of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide?
The InChIKey is RHGXDGZANHQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2S/c1-4-13-34(32,33)30-25-16-21(14-18(2)19(25)3)24-15-22(17-29-26(24)27)20-5-7-23(8-6-20)31-11-9-28-10-12-31/h5-8,14-17,28,30H,4,9-13H2,1-3H3,(H2,27,29).
What are the key properties of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide?
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide has a molecular weight of 479.65 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 135348441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).