N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide

C26H28FN3O3S — CID 24981493

IUPACN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28FN3O3S/c27-23-13-7-8-14-24(23)34(32,33)28-16-15-25(31)29-17-19-30(20-18-29)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,26,28H,15-20H2
InChIKeyFGIKDFKDSBDVQP-UHFFFAOYSA-N
MW481.59 g/mol
LogP3.43
Rot. Bonds8

About N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide

N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide (PubChem CID 24981493) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide
PubChem CID24981493
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC NameN-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28FN3O3S/c27-23-13-7-8-14-24(23)34(32,33)28-16-15-25(31)29-17-19-30(20-18-29)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,26,28H,15-20H2
InChIKeyFGIKDFKDSBDVQP-UHFFFAOYSA-N
XLogP3.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171281
(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
CID 118728609
N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2301453
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)benzenesulfonamide
CID 11362130
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-fluorobenzenesulfonamide
CID 45269976
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2-fluorobenzenesulfonamide
CID 45270806
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-3-fluorobenzenesulfonamide
CID 45273390
N-[1-(3-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 646527
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide (CID 24981493) is N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide?
The InChIKey is FGIKDFKDSBDVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c27-23-13-7-8-14-24(23)34(32,33)28-16-15-25(31)29-17-19-30(20-18-29)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,26,28H,15-20H2.
What are the key properties of N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide?
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide has a molecular weight of 481.59 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 24981493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).