methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate

C18H18N2O4S — CID 69453700

IUPACmethyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(Cc3cccc(NS(C)(=O)=O)c3)c2c1
InChIInChI=1S/C18H18N2O4S/c1-24-18(21)15-7-6-14-8-9-20(17(14)11-15)12-13-4-3-5-16(10-13)19-25(2,22)23/h3-11,19H,12H2,1-2H3
InChIKeyLWCFHZVVZPQEBU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.85
Rot. Bonds5

About methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate

methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate (PubChem CID 69453700) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate
PubChem CID69453700
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Namemethyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(Cc3cccc(NS(C)(=O)=O)c3)c2c1
InChIInChI=1S/C18H18N2O4S/c1-24-18(21)15-7-6-14-8-9-20(17(14)11-15)12-13-4-3-5-16(10-13)19-25(2,22)23/h3-11,19H,12H2,1-2H3
InChIKeyLWCFHZVVZPQEBU-UHFFFAOYSA-N
XLogP2.85
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(benzenesulfonamido)phenyl]methyl]indole-6-carboxylic acid
CID 67094243
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate
CID 56851741
methyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
CID 47039865
methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate
CID 56851756
methyl 1-[2-[3-(methylaminomethyl)phenoxy]ethyl]indole-6-carboxylate
CID 170703946
N-hydroxy-1-[(3-sulfanylphenyl)methyl]indole-6-carboxamide
CID 90934184
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
methyl 3-[(4,6-dimethoxyindol-1-yl)methyl]benzoate
CID 110831380
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
CID 5191010

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate?
The IUPAC name of methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate (CID 69453700) is methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate.
What is the SMILES notation for methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate?
The canonical SMILES for methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate is COC(=O)c1ccc2ccn(Cc3cccc(NS(C)(=O)=O)c3)c2c1.
What is the InChIKey of methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate?
The InChIKey is LWCFHZVVZPQEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-24-18(21)15-7-6-14-8-9-20(17(14)11-15)12-13-4-3-5-16(10-13)19-25(2,22)23/h3-11,19H,12H2,1-2H3.
What are the key properties of methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate?
methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-(methanesulfonamido)phenyl]methyl]indole-6-carboxylate is sourced from PubChem (CID 69453700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).