1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine

C19H15N3O2S — CID 11163900

IUPAC1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Nc3ccncc3)cccc21
InChIInChI=1S/C19H15N3O2S/c23-25(24,16-5-2-1-3-6-16)22-14-11-17-18(7-4-8-19(17)22)21-15-9-12-20-13-10-15/h1-14H,(H,20,21)
InChIKeyVIMUVZGLSYYWOM-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.02
Rot. Bonds4

About 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine

1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine (PubChem CID 11163900) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine
PubChem CID11163900
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Nc3ccncc3)cccc21
InChIInChI=1S/C19H15N3O2S/c23-25(24,16-5-2-1-3-6-16)22-14-11-17-18(7-4-8-19(17)22)21-15-9-12-20-13-10-15/h1-14H,(H,20,21)
InChIKeyVIMUVZGLSYYWOM-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine (CID 11163900) is 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine is O=S(=O)(c1ccccc1)n1ccc2c(Nc3ccncc3)cccc21.
What is the InChIKey of 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine?
The InChIKey is VIMUVZGLSYYWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-25(24,16-5-2-1-3-6-16)22-14-11-17-18(7-4-8-19(17)22)21-15-9-12-20-13-10-15/h1-14H,(H,20,21).
What are the key properties of 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine?
1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine has a molecular weight of 349.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-pyridin-4-ylindol-4-amine is sourced from PubChem (CID 11163900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).