methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate

C19H20N2O4S — CID 47013165

IUPACmethyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCCn2ccc3ccccc32)cc1
InChIInChI=1S/C19H20N2O4S/c1-25-19(22)16-7-9-17(10-8-16)26(23,24)20-12-4-13-21-14-11-15-5-2-3-6-18(15)21/h2-3,5-11,14,20H,4,12-13H2,1H3
InChIKeyQWRCORZACNDUKR-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.80
Rot. Bonds7

About methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate

methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate (PubChem CID 47013165) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate
PubChem CID47013165
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Namemethyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCCn2ccc3ccccc32)cc1
InChIInChI=1S/C19H20N2O4S/c1-25-19(22)16-7-9-17(10-8-16)26(23,24)20-12-4-13-21-14-11-15-5-2-3-6-18(15)21/h2-3,5-11,14,20H,4,12-13H2,1H3
InChIKeyQWRCORZACNDUKR-UHFFFAOYSA-N
XLogP2.80
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.80
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

4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
N-(3-indol-1-ylpropyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567338
4-(dimethylsulfamoyl)-N-(3-indol-1-ylpropyl)benzamide
CID 2489290
methyl 5-(3-indol-1-ylpropylcarbamoyl)thiophene-2-carboxylate
CID 134050299
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 17401615
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 108780319
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
1-(4-acetylphenyl)sulfonyl-N-(3-indol-1-ylpropyl)piperidine-4-carboxamide
CID 55349126
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate?
The IUPAC name of methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate (CID 47013165) is methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate is COC(=O)c1ccc(S(=O)(=O)NCCCn2ccc3ccccc32)cc1.
What is the InChIKey of methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate?
The InChIKey is QWRCORZACNDUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-25-19(22)16-7-9-17(10-8-16)26(23,24)20-12-4-13-21-14-11-15-5-2-3-6-18(15)21/h2-3,5-11,14,20H,4,12-13H2,1H3.
What are the key properties of methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate?
methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate has a molecular weight of 372.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate is sourced from PubChem (CID 47013165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).