6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

C24H25N3O6S — CID 23039425

IUPAC6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc3[nH]c4cnc(C(=O)O)c(COC)c4c3c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-4-27(5-2)34(30,31)17-9-6-15(7-10-17)33-16-8-11-20-18(12-16)22-19(14-32-3)23(24(28)29)25-13-21(22)26-20/h6-13,26H,4-5,14H2,1-3H3,(H,28,29)
InChIKeyHRXDFPHQNMWNKT-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.38
Rot. Bonds9

About 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 23039425) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID23039425
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc3[nH]c4cnc(C(=O)O)c(COC)c4c3c2)cc1
InChIInChI=1S/C24H25N3O6S/c1-4-27(5-2)34(30,31)17-9-6-15(7-10-17)33-16-8-11-20-18(12-16)22-19(14-32-3)23(24(28)29)25-13-21(22)26-20/h6-13,26H,4-5,14H2,1-3H3,(H,28,29)
InChIKeyHRXDFPHQNMWNKT-UHFFFAOYSA-N
XLogP4.38
TPSA121.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid with MolForge

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Related Compounds

ethyl 6-(diethylsulfamoyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13134021
6-[(3-cyanophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 21462939
ethyl 6-[2-(dimethylamino)ethoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate;molecular hydrogen
CID 177138880
N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 25156743
ethyl 4-(methoxymethyl)-6-[(4-nitrophenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13392802
ethyl 6-(4-fluorophenyl)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 177138867
propan-2-yl 6-(3-chloroquinoxalin-2-yl)oxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54112541
2,3-dihydroxypropyl 4-(methoxymethyl)-6-phenylmethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
CID 18963822
4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 18403943
ethyl 6-[bis(prop-2-enyl)carbamoyl]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 54510265
ethyl [4-(methoxymethyl)-6-(2-nitrophenoxy)-9H-pyrido[3,4-b]indol-3-yl] carbonate
CID 67871137
propan-2-yl 4-(methoxymethyl)-6-[(3-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 4-(methoxymethyl)-6-[(4-methylphenyl)methoxy]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 158639288

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 23039425) is 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3[nH]c4cnc(C(=O)O)c(COC)c4c3c2)cc1.
What is the InChIKey of 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is HRXDFPHQNMWNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-4-27(5-2)34(30,31)17-9-6-15(7-10-17)33-16-8-11-20-18(12-16)22-19(14-32-3)23(24(28)29)25-13-21(22)26-20/h6-13,26H,4-5,14H2,1-3H3,(H,28,29).
What are the key properties of 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 483.55 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylsulfamoyl)phenoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 23039425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).