2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide

C24H26F2N4O3S — CID 3237833

IUPAC2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(CNS(=O)(=O)c2cc(F)ccc2F)c2cccnc2)CC1
InChIInChI=1S/C24H26F2N4O3S/c1-33-23-7-3-2-6-21(23)29-11-13-30(14-12-29)22(18-5-4-10-27-16-18)17-28-34(31,32)24-15-19(25)8-9-20(24)26/h2-10,15-16,22,28H,11-14,17H2,1H3
InChIKeyAXIVGONQQLNLNW-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.21
Rot. Bonds8

About 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide

2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 3237833) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID3237833
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC Name2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(CNS(=O)(=O)c2cc(F)ccc2F)c2cccnc2)CC1
InChIInChI=1S/C24H26F2N4O3S/c1-33-23-7-3-2-6-21(23)29-11-13-30(14-12-29)22(18-5-4-10-27-16-18)17-28-34(31,32)24-15-19(25)8-9-20(24)26/h2-10,15-16,22,28H,11-14,17H2,1H3
InChIKeyAXIVGONQQLNLNW-UHFFFAOYSA-N
XLogP3.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide 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

US9663498, Example 23
CID 118181441
3-(difluoromethyl)-6-fluoro-1-((4-methoxy-3-(piperazin-1-yl) phenyl)sulfonyl)-1H-indole
CID 118181454
1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71451926
N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 16113665
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)pyridine-3-sulfonamide
CID 44431617
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-4-methoxypyridine-3-sulfonamide
CID 44431618
6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181459
1-[4-[[2-Methoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610094
3-{4-[(5-Fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridin-3-ylmethyl)urea
CID 66610693
1-[4-[[2-(Difluoromethoxy)phenyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 89845328
7-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181412

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (CID 3237833) is 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is COc1ccccc1N1CCN(C(CNS(=O)(=O)c2cc(F)ccc2F)c2cccnc2)CC1.
What is the InChIKey of 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is AXIVGONQQLNLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-33-23-7-3-2-6-21(23)29-11-13-30(14-12-29)22(18-5-4-10-27-16-18)17-28-34(31,32)24-15-19(25)8-9-20(24)26/h2-10,15-16,22,28H,11-14,17H2,1H3.
What are the key properties of 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 488.56 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 3237833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).