N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide

C24H27N5O3S — CID 130302657

IUPACN-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccnc(-c2ccc(CN3CCN(C4COC4)CC3)cc2)c1)c1cccnc1
InChIInChI=1S/C24H27N5O3S/c30-33(31,23-2-1-8-25-15-23)27-21-7-9-26-24(14-21)20-5-3-19(4-6-20)16-28-10-12-29(13-11-28)22-17-32-18-22/h1-9,14-15,22H,10-13,16-18H2,(H,26,27)
InChIKeyXCLHPTWDGGDWST-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.46
Rot. Bonds7

About N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide

N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide (PubChem CID 130302657) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide
PubChem CID130302657
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccnc(-c2ccc(CN3CCN(C4COC4)CC3)cc2)c1)c1cccnc1
InChIInChI=1S/C24H27N5O3S/c30-33(31,23-2-1-8-25-15-23)27-21-7-9-26-24(14-21)20-5-3-19(4-6-20)16-28-10-12-29(13-11-28)22-17-32-18-22/h1-9,14-15,22H,10-13,16-18H2,(H,26,27)
InChIKeyXCLHPTWDGGDWST-UHFFFAOYSA-N
XLogP2.46
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide (CID 130302657) is N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccnc(-c2ccc(CN3CCN(C4COC4)CC3)cc2)c1)c1cccnc1.
What is the InChIKey of N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is XCLHPTWDGGDWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c30-33(31,23-2-1-8-25-15-23)27-21-7-9-26-24(14-21)20-5-3-19(4-6-20)16-28-10-12-29(13-11-28)22-17-32-18-22/h1-9,14-15,22H,10-13,16-18H2,(H,26,27).
What are the key properties of N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide?
N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 465.58 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-4-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 130302657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).