4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide

C22H28FN5O3S — CID 50828224

IUPAC4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1cnc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H28FN5O3S/c1-16-4-2-3-11-28(16)22(29)17-14-20(21(25-15-17)27-12-9-24-10-13-27)26-32(30,31)19-7-5-18(23)6-8-19/h5-8,14-16,24,26H,2-4,9-13H2,1H3
InChIKeyHYOINUUGZBTDCP-UHFFFAOYSA-N
MW461.56 g/mol
LogP2.45
Rot. Bonds5

About 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide

4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide (PubChem CID 50828224) has the molecular formula C22H28FN5O3S and a molecular weight of 461.56 g/mol. Its IUPAC name is 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide
PubChem CID50828224
Molecular FormulaC22H28FN5O3S
Molecular Weight461.56 g/mol
Exact Mass461.19
IUPAC Name4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1cnc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H28FN5O3S/c1-16-4-2-3-11-28(16)22(29)17-14-20(21(25-15-17)27-12-9-24-10-13-27)26-32(30,31)19-7-5-18(23)6-8-19/h5-8,14-16,24,26H,2-4,9-13H2,1H3
InChIKeyHYOINUUGZBTDCP-UHFFFAOYSA-N
XLogP2.45
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide (CID 50828224) is 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide is CC1CCCCN1C(=O)c1cnc(N2CCNCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide?
The InChIKey is HYOINUUGZBTDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3S/c1-16-4-2-3-11-28(16)22(29)17-14-20(21(25-15-17)27-12-9-24-10-13-27)26-32(30,31)19-7-5-18(23)6-8-19/h5-8,14-16,24,26H,2-4,9-13H2,1H3.
What are the key properties of 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide?
4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide has a molecular weight of 461.56 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 50828224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).