N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide

C23H24N2O4S — CID 155322271

IUPACN-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC(O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O4S/c1-30(27,28)25-23(26)22-20(19-9-4-5-11-21(19)24-22)10-6-14-29-18-13-12-16-7-2-3-8-17(16)15-18/h2-5,7-9,11-13,15,23-26H,6,10,14H2,1H3
InChIKeyVAAHDZVGJQEHOD-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.87
Rot. Bonds8

About N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide

N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide (PubChem CID 155322271) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide
PubChem CID155322271
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC(O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O4S/c1-30(27,28)25-23(26)22-20(19-9-4-5-11-21(19)24-22)10-6-14-29-18-13-12-16-7-2-3-8-17(16)15-18/h2-5,7-9,11-13,15,23-26H,6,10,14H2,1H3
InChIKeyVAAHDZVGJQEHOD-UHFFFAOYSA-N
XLogP3.87
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide (CID 155322271) is N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC(O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1.
What is the InChIKey of N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide?
The InChIKey is VAAHDZVGJQEHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-30(27,28)25-23(26)22-20(19-9-4-5-11-21(19)24-22)10-6-14-29-18-13-12-16-7-2-3-8-17(16)15-18/h2-5,7-9,11-13,15,23-26H,6,10,14H2,1H3.
What are the key properties of N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide?
N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide has a molecular weight of 424.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy-[3-(3-naphthalen-2-yloxypropyl)-1H-indol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 155322271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).