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

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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).