5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide

C21H17N3O3S — CID 166397295

IUPAC5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NS(=O)(=O)c3ccc4c5c(cccc35)CC4)ccc2[nH]1
InChIInChI=1S/C21H17N3O3S/c22-21(25)18-11-14-10-15(7-8-17(14)23-18)24-28(26,27)19-9-6-13-5-4-12-2-1-3-16(19)20(12)13/h1-3,6-11,23-24H,4-5H2,(H2,22,25)
InChIKeyFEARZAUMOBIUER-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.32
Rot. Bonds4

About 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide

5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide (PubChem CID 166397295) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide
PubChem CID166397295
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NS(=O)(=O)c3ccc4c5c(cccc35)CC4)ccc2[nH]1
InChIInChI=1S/C21H17N3O3S/c22-21(25)18-11-14-10-15(7-8-17(14)23-18)24-28(26,27)19-9-6-13-5-4-12-2-1-3-16(19)20(12)13/h1-3,6-11,23-24H,4-5H2,(H2,22,25)
InChIKeyFEARZAUMOBIUER-UHFFFAOYSA-N
XLogP3.32
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-2-hydroxybenzoic acid
CID 100820577
N-(2,4-dimethylphenyl)-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820567
5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221463
4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)benzamide
CID 51284207
5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221467
2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55895579
3H-benzo[e]indole-2-carboxamide
CID 69052139
N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
CID 166221435
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide
CID 100820532
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrene-1-sulfonamide
CID 59755206
2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide
CID 75366563
methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166221418

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide?
The IUPAC name of 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide (CID 166397295) is 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide?
The canonical SMILES for 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide is NC(=O)c1cc2cc(NS(=O)(=O)c3ccc4c5c(cccc35)CC4)ccc2[nH]1.
What is the InChIKey of 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide?
The InChIKey is FEARZAUMOBIUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c22-21(25)18-11-14-10-15(7-8-17(14)23-18)24-28(26,27)19-9-6-13-5-4-12-2-1-3-16(19)20(12)13/h1-3,6-11,23-24H,4-5H2,(H2,22,25).
What are the key properties of 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide?
5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 166397295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).