4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

C23H21FN6O3S — CID 59465878

IUPAC4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESO=C(N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21
InChIInChI=1S/C23H21FN6O3S/c24-20-2-1-3-21-19(20)9-11-30(21)23(31)29-14-12-28(13-15-29)17-4-6-18(7-5-17)34(32,33)27-22-8-10-25-16-26-22/h1-11,16H,12-15H2,(H,25,26,27)
InChIKeyXNCXRZYSRVJLSY-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.16
Rot. Bonds4

About 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 59465878) has the molecular formula C23H21FN6O3S and a molecular weight of 480.53 g/mol. Its IUPAC name is 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID59465878
Molecular FormulaC23H21FN6O3S
Molecular Weight480.53 g/mol
Exact Mass480.14
IUPAC Name4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESO=C(N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21
InChIInChI=1S/C23H21FN6O3S/c24-20-2-1-3-21-19(20)9-11-30(21)23(31)29-14-12-28(13-15-29)17-4-6-18(7-5-17)34(32,33)27-22-8-10-25-16-26-22/h1-11,16H,12-15H2,(H,25,26,27)
InChIKeyXNCXRZYSRVJLSY-UHFFFAOYSA-N
XLogP3.16
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (CID 59465878) is 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is O=C(N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1)n1ccc2c(F)cccc21.
What is the InChIKey of 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is XNCXRZYSRVJLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3S/c24-20-2-1-3-21-19(20)9-11-30(21)23(31)29-14-12-28(13-15-29)17-4-6-18(7-5-17)34(32,33)27-22-8-10-25-16-26-22/h1-11,16H,12-15H2,(H,25,26,27).
What are the key properties of 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 480.53 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluoroindole-1-carbonyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 59465878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).