6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide

C20H18N4O3S — CID 53380421

IUPAC6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCCc3ccccc3)cc12
InChIInChI=1S/C20H18N4O3S/c21-20(25)19-18-15(9-10-22-19)16-12-14(6-7-17(16)24-18)28(26,27)23-11-8-13-4-2-1-3-5-13/h1-7,9-10,12,23-24H,8,11H2,(H2,21,25)
InChIKeyYOXQJONNKRKRRX-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.34
Rot. Bonds6

About 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide

6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 53380421) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID53380421
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCCc3ccccc3)cc12
InChIInChI=1S/C20H18N4O3S/c21-20(25)19-18-15(9-10-22-19)16-12-14(6-7-17(16)24-18)28(26,27)23-11-8-13-4-2-1-3-5-13/h1-7,9-10,12,23-24H,8,11H2,(H2,21,25)
InChIKeyYOXQJONNKRKRRX-UHFFFAOYSA-N
XLogP2.34
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide (CID 53380421) is 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide is NC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCCc3ccccc3)cc12.
What is the InChIKey of 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is YOXQJONNKRKRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c21-20(25)19-18-15(9-10-22-19)16-12-14(6-7-17(16)24-18)28(26,27)23-11-8-13-4-2-1-3-5-13/h1-7,9-10,12,23-24H,8,11H2,(H2,21,25).
What are the key properties of 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 53380421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).