N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine

C18H21N3O4S2 — CID 12823187

IUPACN-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine
SMILESO=S(=O)(NC1Cc2ccccc2C1)NS(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C18H21N3O4S2/c22-26(23,19-17-9-13-5-1-2-6-14(13)10-17)21-27(24,25)20-18-11-15-7-3-4-8-16(15)12-18/h1-8,17-21H,9-12H2
InChIKeyPCGPSDYRKZUXHR-UHFFFAOYSA-N
MW407.52 g/mol
LogP0.58
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine

N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 12823187) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID12823187
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine
SMILESO=S(=O)(NC1Cc2ccccc2C1)NS(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C18H21N3O4S2/c22-26(23,19-17-9-13-5-1-2-6-14(13)10-17)21-27(24,25)20-18-11-15-7-3-4-8-16(15)12-18/h1-8,17-21H,9-12H2
InChIKeyPCGPSDYRKZUXHR-UHFFFAOYSA-N
XLogP0.58
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine (CID 12823187) is N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine is O=S(=O)(NC1Cc2ccccc2C1)NS(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PCGPSDYRKZUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c22-26(23,19-17-9-13-5-1-2-6-14(13)10-17)21-27(24,25)20-18-11-15-7-3-4-8-16(15)12-18/h1-8,17-21H,9-12H2.
What are the key properties of N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine?
N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 407.52 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 12823187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).