N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide

C24H26F2N4O2S — CID 16812364

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C24H26F2N4O2S/c25-21-8-9-22(26)24(15-21)33(31,32)28-17-23(20-7-4-10-27-16-20)30-13-11-29(12-14-30)18-19-5-2-1-3-6-19/h1-10,15-16,23,28H,11-14,17-18H2
InChIKeyFYOAEYNORYAMFQ-UHFFFAOYSA-N
MW472.56 g/mol
LogP3.20
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide (PubChem CID 16812364) has the molecular formula C24H26F2N4O2S and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide
PubChem CID16812364
Molecular FormulaC24H26F2N4O2S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C24H26F2N4O2S/c25-21-8-9-22(26)24(15-21)33(31,32)28-17-23(20-7-4-10-27-16-20)30-13-11-29(12-14-30)18-19-5-2-1-3-6-19/h1-10,15-16,23,28H,11-14,17-18H2
InChIKeyFYOAEYNORYAMFQ-UHFFFAOYSA-N
XLogP3.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide (CID 16812364) is N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is FYOAEYNORYAMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2S/c25-21-8-9-22(26)24(15-21)33(31,32)28-17-23(20-7-4-10-27-16-20)30-13-11-29(12-14-30)18-19-5-2-1-3-6-19/h1-10,15-16,23,28H,11-14,17-18H2.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 472.56 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 16812364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).