N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide

C20H17N3O2S — CID 25263021

IUPACN-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccncc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H17N3O2S/c1-26(24,25)23-17-12-15(14-5-8-21-9-6-14)11-16(13-17)18-3-2-4-20-19(18)7-10-22-20/h2-13,22-23H,1H3
InChIKeyKYMKSLJNTFZZCV-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.27
Rot. Bonds4

About N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide

N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide (PubChem CID 25263021) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide
PubChem CID25263021
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccncc2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C20H17N3O2S/c1-26(24,25)23-17-12-15(14-5-8-21-9-6-14)11-16(13-17)18-3-2-4-20-19(18)7-10-22-20/h2-13,22-23H,1H3
InChIKeyKYMKSLJNTFZZCV-UHFFFAOYSA-N
XLogP4.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide?
The IUPAC name of N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide (CID 25263021) is N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccncc2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide?
The InChIKey is KYMKSLJNTFZZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-26(24,25)23-17-12-15(14-5-8-21-9-6-14)11-16(13-17)18-3-2-4-20-19(18)7-10-22-20/h2-13,22-23H,1H3.
What are the key properties of N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide?
N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-4-yl)-5-pyridin-4-ylphenyl]methanesulfonamide is sourced from PubChem (CID 25263021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).