2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate

C18H18N2O5S — CID 35193490

IUPAC2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-12-17(15-4-2-3-5-16(15)20-12)18(21)25-11-10-24-13-6-8-14(9-7-13)26(19,22)23/h2-9,20H,10-11H2,1H3,(H2,19,22,23)
InChIKeyIXPYDWCVPWQUJQ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate

2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate (PubChem CID 35193490) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate
PubChem CID35193490
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-12-17(15-4-2-3-5-16(15)20-12)18(21)25-11-10-24-13-6-8-14(9-7-13)26(19,22)23/h2-9,20H,10-11H2,1H3,(H2,19,22,23)
InChIKeyIXPYDWCVPWQUJQ-UHFFFAOYSA-N
XLogP2.36
TPSA111.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methyl-1H-indole-3-carboxylate
CID 35192559
1-(2-methyl-1H-indol-3-yl)-2-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]propan-1-one
CID 86847467
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-bromo-1H-indole-2-carboxylate
CID 55703916
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 43070112
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
CID 8568254
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 42983756
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 5296029
2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 40661255
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7763763

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate (CID 35193490) is 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate?
The InChIKey is IXPYDWCVPWQUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-12-17(15-4-2-3-5-16(15)20-12)18(21)25-11-10-24-13-6-8-14(9-7-13)26(19,22)23/h2-9,20H,10-11H2,1H3,(H2,19,22,23).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate?
2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 35193490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).