N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide

C24H24F2N4O3S — CID 46333828

IUPACN-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H24F2N4O3S/c25-19-5-7-21(8-6-19)34(32,33)29-22-15-18(4-9-23(22)30-12-10-27-11-13-30)24(31)28-16-17-2-1-3-20(26)14-17/h1-9,14-15,27,29H,10-13,16H2,(H,28,31)
InChIKeyNYKZUDMWRSWBPP-UHFFFAOYSA-N
MW486.54 g/mol
LogP3.11
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide

N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide (PubChem CID 46333828) has the molecular formula C24H24F2N4O3S and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
PubChem CID46333828
Molecular FormulaC24H24F2N4O3S
Molecular Weight486.54 g/mol
Exact Mass486.15
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H24F2N4O3S/c25-19-5-7-21(8-6-19)34(32,33)29-22-15-18(4-9-23(22)30-12-10-27-11-13-30)24(31)28-16-17-2-1-3-20(26)14-17/h1-9,14-15,27,29H,10-13,16H2,(H,28,31)
InChIKeyNYKZUDMWRSWBPP-UHFFFAOYSA-N
XLogP3.11
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059528
N-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059297
3-[(4-chlorophenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)benzamide
CID 46333589
N-benzyl-3-[(4-ethoxyphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059306
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
3-(methanesulfonamido)-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333797
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146059279
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]-4-piperazin-1-ylbenzamide
CID 46333799
N-ethyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059399
N-ethyl-4-piperazin-1-yl-3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46333701
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-4-piperazin-1-ylbenzamide
CID 46333711
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide (CID 46333828) is N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide is O=C(NCc1cccc(F)c1)c1ccc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
The InChIKey is NYKZUDMWRSWBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3S/c25-19-5-7-21(8-6-19)34(32,33)29-22-15-18(4-9-23(22)30-12-10-27-11-13-30)24(31)28-16-17-2-1-3-20(26)14-17/h1-9,14-15,27,29H,10-13,16H2,(H,28,31).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide?
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide has a molecular weight of 486.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 46333828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).