N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide

C26H30N4O2S — CID 68860210

IUPACN-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1)c1ccccc1
InChIInChI=1S/C26H30N4O2S/c31-33(32,25-8-2-1-3-9-25)28-23-13-10-21(11-14-23)22-12-15-26(27-20-22)30-18-16-29(17-19-30)24-6-4-5-7-24/h1-3,8-15,20,24,28H,4-7,16-19H2
InChIKeyQCVNBKFFPIFDDW-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.61
Rot. Bonds6

About N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide

N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide (PubChem CID 68860210) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide
PubChem CID68860210
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1)c1ccccc1
InChIInChI=1S/C26H30N4O2S/c31-33(32,25-8-2-1-3-9-25)28-23-13-10-21(11-14-23)22-12-15-26(27-20-22)30-18-16-29(17-19-30)24-6-4-5-7-24/h1-3,8-15,20,24,28H,4-7,16-19H2
InChIKeyQCVNBKFFPIFDDW-UHFFFAOYSA-N
XLogP4.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide (CID 68860210) is N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide?
The InChIKey is QCVNBKFFPIFDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c31-33(32,25-8-2-1-3-9-25)28-23-13-10-21(11-14-23)22-12-15-26(27-20-22)30-18-16-29(17-19-30)24-6-4-5-7-24/h1-3,8-15,20,24,28H,4-7,16-19H2.
What are the key properties of N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide?
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide has a molecular weight of 462.62 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 68860210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).