methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate

C18H15N3O4S — CID 155116653

IUPACmethyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)c1
InChIInChI=1S/C18H15N3O4S/c1-11-6-7-15(17-16(11)13(9-19)10-20-17)21-26(23,24)14-5-3-4-12(8-14)18(22)25-2/h3-8,10,20-21H,1-2H3
InChIKeyLNUJCMQXCDSHNR-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.94
Rot. Bonds4

About methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate

methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate (PubChem CID 155116653) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
PubChem CID155116653
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Namemethyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)c1
InChIInChI=1S/C18H15N3O4S/c1-11-6-7-15(17-16(11)13(9-19)10-20-17)21-26(23,24)14-5-3-4-12(8-14)18(22)25-2/h3-8,10,20-21H,1-2H3
InChIKeyLNUJCMQXCDSHNR-UHFFFAOYSA-N
XLogP2.94
TPSA112.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate with MolForge

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Related Compounds

propan-2-yl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 166148415
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-nitrobenzenesulfonamide
CID 147300883
3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]benzamide
CID 166430282
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-morpholin-4-ylbenzenesulfonamide
CID 177228503
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
CID 170332020
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide
CID 170407735
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-fluoro-2-hydroxyethyl)pyrazole-4-sulfonamide
CID 155708776
methyl 3-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 31700482

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate (CID 155116653) is methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c3c(C#N)c[nH]c23)c1.
What is the InChIKey of methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate?
The InChIKey is LNUJCMQXCDSHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-11-6-7-15(17-16(11)13(9-19)10-20-17)21-26(23,24)14-5-3-4-12(8-14)18(22)25-2/h3-8,10,20-21H,1-2H3.
What are the key properties of methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate?
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate has a molecular weight of 369.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate is sourced from PubChem (CID 155116653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).