4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide

C23H20FN5O3S — CID 55455849

IUPAC4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
SMILESN#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1
InChIInChI=1S/C23H20FN5O3S/c24-20-5-1-2-6-21(20)27-33(31,32)19-9-7-17(8-10-19)23(30)29-14-12-28(13-15-29)22-18(16-25)4-3-11-26-22/h1-11,27H,12-15H2
InChIKeyTXBCHJPBPIAGKR-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.86
Rot. Bonds5

About 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide

4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 55455849) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID55455849
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC Name4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
SMILESN#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1
InChIInChI=1S/C23H20FN5O3S/c24-20-5-1-2-6-21(20)27-33(31,32)19-9-7-17(8-10-19)23(30)29-14-12-28(13-15-29)22-18(16-25)4-3-11-26-22/h1-11,27H,12-15H2
InChIKeyTXBCHJPBPIAGKR-UHFFFAOYSA-N
XLogP2.86
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55461328
N-[2-chloro-5-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 55456171
4-[4-(4-cyanophenyl)-1,4-diazepane-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55720788
N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55455438
3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55821932
N-(2-cyanophenyl)-4-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109060459
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678
4-(1,4-diazepane-1-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
CID 119418280
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 55729837
2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456080
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
4-chloro-3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 55469910

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide (CID 55455849) is 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide is N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1.
What is the InChIKey of 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is TXBCHJPBPIAGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c24-20-5-1-2-6-21(20)27-33(31,32)19-9-7-17(8-10-19)23(30)29-14-12-28(13-15-29)22-18(16-25)4-3-11-26-22/h1-11,27H,12-15H2.
What are the key properties of 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide?
4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 465.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 55455849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).