5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid

C14H18N2O4S — CID 663444

IUPAC5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c(C(=O)O)cn2C
InChIInChI=1S/C14H18N2O4S/c1-4-16(5-2)21(19,20)10-6-7-13-11(8-10)12(14(17)18)9-15(13)3/h6-9H,4-5H2,1-3H3,(H,17,18)
InChIKeyACERAJYCCLKTDM-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.91
Rot. Bonds5

About 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid

5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid (PubChem CID 663444) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
PubChem CID663444
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)c(C(=O)O)cn2C
InChIInChI=1S/C14H18N2O4S/c1-4-16(5-2)21(19,20)10-6-7-13-11(8-10)12(14(17)18)9-15(13)3/h6-9H,4-5H2,1-3H3,(H,17,18)
InChIKeyACERAJYCCLKTDM-UHFFFAOYSA-N
XLogP1.91
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(4-methylsulfonylphenyl)indole-3-carboxylic acid
CID 172654724
N-butyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859084
N-cyclopentyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859070
5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
N-cycloheptyl-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 20859069
4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
5-tert-butyl-1-methylindole-3-carboxylic acid
CID 82278768
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6-(diethylsulfamoyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 46255088
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644195
2-chloro-5-[2,2-dichloroethyl(ethyl)sulfamoyl]benzoic acid
CID 70536672

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid?
The IUPAC name of 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid (CID 663444) is 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid.
What is the SMILES notation for 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid?
The canonical SMILES for 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc2c(c1)c(C(=O)O)cn2C.
What is the InChIKey of 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid?
The InChIKey is ACERAJYCCLKTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-4-16(5-2)21(19,20)10-6-7-13-11(8-10)12(14(17)18)9-15(13)3/h6-9H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid?
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 663444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).