7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole

C17H18N4O2S — CID 10291104

IUPAC7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole
SMILESO=S(=O)(c1ccncc1)c1c[nH]c2c(N3CCNCC3)cccc12
InChIInChI=1S/C17H18N4O2S/c22-24(23,13-4-6-18-7-5-13)16-12-20-17-14(16)2-1-3-15(17)21-10-8-19-9-11-21/h1-7,12,19-20H,8-11H2
InChIKeyMPOVFRIXKVWYRK-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.81
Rot. Bonds3

About 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole

7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole (PubChem CID 10291104) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole.

Molecular Properties

Compound Name7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole
PubChem CID10291104
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole
SMILESO=S(=O)(c1ccncc1)c1c[nH]c2c(N3CCNCC3)cccc12
InChIInChI=1S/C17H18N4O2S/c22-24(23,13-4-6-18-7-5-13)16-12-20-17-14(16)2-1-3-15(17)21-10-8-19-9-11-21/h1-7,12,19-20H,8-11H2
InChIKeyMPOVFRIXKVWYRK-UHFFFAOYSA-N
XLogP1.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole?
The IUPAC name of 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole (CID 10291104) is 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole.
What is the SMILES notation for 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole?
The canonical SMILES for 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole is O=S(=O)(c1ccncc1)c1c[nH]c2c(N3CCNCC3)cccc12.
What is the InChIKey of 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole?
The InChIKey is MPOVFRIXKVWYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,13-4-6-18-7-5-13)16-12-20-17-14(16)2-1-3-15(17)21-10-8-19-9-11-21/h1-7,12,19-20H,8-11H2.
What are the key properties of 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole?
7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole has a molecular weight of 342.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-3-pyridin-4-ylsulfonyl-1H-indole is sourced from PubChem (CID 10291104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).