N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide

C18H21N3O3S — CID 91956253

IUPACN-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCCCn1ncc2ccccc21
InChIInChI=1S/C18H21N3O3S/c22-25(23,14-13-24-17-8-2-1-3-9-17)20-11-6-12-21-18-10-5-4-7-16(18)15-19-21/h1-5,7-10,15,20H,6,11-14H2
InChIKeyNKESNKKGGGNHCC-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.42
Rot. Bonds9

About N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide

N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide (PubChem CID 91956253) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide
PubChem CID91956253
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCCCn1ncc2ccccc21
InChIInChI=1S/C18H21N3O3S/c22-25(23,14-13-24-17-8-2-1-3-9-17)20-11-6-12-21-18-10-5-4-7-16(18)15-19-21/h1-5,7-10,15,20H,6,11-14H2
InChIKeyNKESNKKGGGNHCC-UHFFFAOYSA-N
XLogP2.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]cyclopropanesulfonamide
CID 24953162
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]cyclopropanesulfonamide
CID 134133225
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]propane-1-sulfonamide
CID 24953163
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
CID 24953166
1,1,1-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
CID 24953513
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methylpropane-1-sulfonamide
CID 59786564
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-2-sulfonamide
CID 59786572
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pentane-1-sulfonamide
CID 59786577
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide
CID 59786587
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24997743
2-(1H-indazol-1-yl)-N-(4-propoxybenzyl)acetamide
CID 6620230
N-(4-ethoxyphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885370

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide (CID 91956253) is N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)NCCCn1ncc2ccccc21.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide?
The InChIKey is NKESNKKGGGNHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-25(23,14-13-24-17-8-2-1-3-9-17)20-11-6-12-21-18-10-5-4-7-16(18)15-19-21/h1-5,7-10,15,20H,6,11-14H2.
What are the key properties of N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide?
N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 91956253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).