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

C24H28ClN5O2S — CID 135348302

IUPACN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Cl)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C24H28ClN5O2S/c1-2-11-33(31,32)29-21-13-18(12-20(25)15-21)23-14-19(16-28-24(23)26)17-3-5-22(6-4-17)30-9-7-27-8-10-30/h3-6,12-16,27,29H,2,7-11H2,1H3,(H2,26,28)
InChIKeyOKVQDRZUOATMCC-UHFFFAOYSA-N
MW486.04 g/mol
LogP4.21
Rot. Bonds7

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

N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide (PubChem CID 135348302) has the molecular formula C24H28ClN5O2S and a molecular weight of 486.04 g/mol. Its IUPAC name is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide
PubChem CID135348302
Molecular FormulaC24H28ClN5O2S
Molecular Weight486.04 g/mol
Exact Mass485.17
IUPAC NameN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Cl)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C24H28ClN5O2S/c1-2-11-33(31,32)29-21-13-18(12-20(25)15-21)23-14-19(16-28-24(23)26)17-3-5-22(6-4-17)30-9-7-27-8-10-30/h3-6,12-16,27,29H,2,7-11H2,1H3,(H2,26,28)
InChIKeyOKVQDRZUOATMCC-UHFFFAOYSA-N
XLogP4.21
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]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-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide
CID 135348441
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methylphenyl]propane-1-sulfonamide
CID 146306976
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide
CID 135348450
N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide
CID 135348456
N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 146306964
3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 162663760
N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
CID 126622029
6-[2-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-8-chloro-3,4-dihydro-2H-isoquinolin-1-one
CID 166093340
N-[5-[2-amino-5-(4-piperidin-4-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170409748
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
5-[2-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]isoindole-1,3-dione
CID 166093249
N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide
CID 135348482

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide (CID 135348302) is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(Cl)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1.
What is the InChIKey of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide?
The InChIKey is OKVQDRZUOATMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2S/c1-2-11-33(31,32)29-21-13-18(12-20(25)15-21)23-14-19(16-28-24(23)26)17-3-5-22(6-4-17)30-9-7-27-8-10-30/h3-6,12-16,27,29H,2,7-11H2,1H3,(H2,26,28).
What are the key properties of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide?
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide has a molecular weight of 486.04 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 135348302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).