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

C25H30FN5O3S — CID 134817210

IUPACN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC
InChIInChI=1S/C25H30FN5O3S/c1-3-12-35(32,33)30-23-15-18(14-22(26)24(23)34-2)21-13-19(16-29-25(21)27)17-4-6-20(7-5-17)31-10-8-28-9-11-31/h4-7,13-16,28,30H,3,8-12H2,1-2H3,(H2,27,29)
InChIKeyAMLGBGSXVKQKOZ-UHFFFAOYSA-N
MW499.61 g/mol
LogP3.71
Rot. Bonds8

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

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide (PubChem CID 134817210) has the molecular formula C25H30FN5O3S and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
PubChem CID134817210
Molecular FormulaC25H30FN5O3S
Molecular Weight499.61 g/mol
Exact Mass499.21
IUPAC NameN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC
InChIInChI=1S/C25H30FN5O3S/c1-3-12-35(32,33)30-23-15-18(14-22(26)24(23)34-2)21-13-19(16-29-25(21)27)17-4-6-20(7-5-17)31-10-8-28-9-11-31/h4-7,13-16,28,30H,3,8-12H2,1-2H3,(H2,27,29)
InChIKeyAMLGBGSXVKQKOZ-UHFFFAOYSA-N
XLogP3.71
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide (CID 134817210) is N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC.
What is the InChIKey of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide?
The InChIKey is AMLGBGSXVKQKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3S/c1-3-12-35(32,33)30-23-15-18(14-22(26)24(23)34-2)21-13-19(16-29-25(21)27)17-4-6-20(7-5-17)31-10-8-28-9-11-31/h4-7,13-16,28,30H,3,8-12H2,1-2H3,(H2,27,29).
What are the key properties of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide?
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide has a molecular weight of 499.61 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide is sourced from PubChem (CID 134817210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).