N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide

C24H26FN5O3S — CID 53108205

IUPACN-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CCNCC1
InChIInChI=1S/C24H26FN5O3S/c1-29(17-18-5-3-2-4-6-18)24(31)22-15-20(16-27-23(22)30-13-11-26-12-14-30)28-34(32,33)21-9-7-19(25)8-10-21/h2-10,15-16,26,28H,11-14,17H2,1H3
InChIKeyGQJKFJDSFSPCAX-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.70
Rot. Bonds7

About N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide

N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 53108205) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID53108205
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC NameN-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CCNCC1
InChIInChI=1S/C24H26FN5O3S/c1-29(17-18-5-3-2-4-6-18)24(31)22-15-20(16-27-23(22)30-13-11-26-12-14-30)28-34(32,33)21-9-7-19(25)8-10-21/h2-10,15-16,26,28H,11-14,17H2,1H3
InChIKeyGQJKFJDSFSPCAX-UHFFFAOYSA-N
XLogP2.70
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide (CID 53108205) is N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CCNCC1.
What is the InChIKey of N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is GQJKFJDSFSPCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-29(17-18-5-3-2-4-6-18)24(31)22-15-20(16-27-23(22)30-13-11-26-12-14-30)28-34(32,33)21-9-7-19(25)8-10-21/h2-10,15-16,26,28H,11-14,17H2,1H3.
What are the key properties of N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide?
N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-fluorophenyl)sulfonylamino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 53108205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).