N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide

C20H17N3O2S — CID 155524400

IUPACN-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cncc(-c3cccc4[nH]ccc34)c2)cc1
InChIInChI=1S/C20H17N3O2S/c1-26(24,25)23-17-7-5-14(6-8-17)15-11-16(13-21-12-15)18-3-2-4-20-19(18)9-10-22-20/h2-13,22-23H,1H3
InChIKeyKKMZWHRTQLNOCF-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.27
Rot. Bonds4

About N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide

N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 155524400) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID155524400
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cncc(-c3cccc4[nH]ccc34)c2)cc1
InChIInChI=1S/C20H17N3O2S/c1-26(24,25)23-17-7-5-14(6-8-17)15-11-16(13-21-12-15)18-3-2-4-20-19(18)9-10-22-20/h2-13,22-23H,1H3
InChIKeyKKMZWHRTQLNOCF-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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Festuclavine
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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide (CID 155524400) is N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cncc(-c3cccc4[nH]ccc34)c2)cc1.
What is the InChIKey of N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is KKMZWHRTQLNOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-26(24,25)23-17-7-5-14(6-8-17)15-11-16(13-21-12-15)18-3-2-4-20-19(18)9-10-22-20/h2-13,22-23H,1H3.
What are the key properties of N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide?
N-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]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-[4-[5-(1H-indol-4-yl)-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 155524400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).