3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine

C17H17FN4O2S — CID 10383914

IUPAC3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2c(F)nc(N3CCNCC3)cc12
InChIInChI=1S/C17H17FN4O2S/c18-17-16-13(10-15(21-17)22-8-6-19-7-9-22)14(11-20-16)25(23,24)12-4-2-1-3-5-12/h1-5,10-11,19-20H,6-9H2
InChIKeyRZFRILJJOWCPAC-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.94
Rot. Bonds3

About 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine

3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 10383914) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID10383914
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2c(F)nc(N3CCNCC3)cc12
InChIInChI=1S/C17H17FN4O2S/c18-17-16-13(10-15(21-17)22-8-6-19-7-9-22)14(11-20-16)25(23,24)12-4-2-1-3-5-12/h1-5,10-11,19-20H,6-9H2
InChIKeyRZFRILJJOWCPAC-UHFFFAOYSA-N
XLogP1.94
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride
CID 10193970
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
3-(4-piperazin-1-ylphenyl)sulfonyl-1H-indole
CID 10450002
1-[3-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]piperazine
CID 150306260
7-(benzenesulfonyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 175304923
3-(3-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 22674244
7-(3-fluorophenyl)sulfonyl-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine;phosphoric acid
CID 68717491
3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 10177504
2-(benzenesulfonyl)-N-methyl-5-piperazin-1-ylaniline
CID 10131620
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
4-methyl-2-piperazin-1-ylquinoline
CID 598754

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine (CID 10383914) is 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine is O=S(=O)(c1ccccc1)c1c[nH]c2c(F)nc(N3CCNCC3)cc12.
What is the InChIKey of 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is RZFRILJJOWCPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-17-16-13(10-15(21-17)22-8-6-19-7-9-22)14(11-20-16)25(23,24)12-4-2-1-3-5-12/h1-5,10-11,19-20H,6-9H2.
What are the key properties of 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine?
3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 360.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-fluoro-5-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 10383914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).