6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide

C14H16N4O2S — CID 79722672

IUPAC6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide
SMILESNc1ccc2c(c1)CCC2Nc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C14H16N4O2S/c15-10-2-4-12-9(7-10)1-5-13(12)18-14-6-3-11(8-17-14)21(16,19)20/h2-4,6-8,13H,1,5,15H2,(H,17,18)(H2,16,19,20)
InChIKeyZIXCPDVQOOAOMH-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.41
Rot. Bonds3

About 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide

6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide (PubChem CID 79722672) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide
PubChem CID79722672
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide
SMILESNc1ccc2c(c1)CCC2Nc1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C14H16N4O2S/c15-10-2-4-12-9(7-10)1-5-13(12)18-14-6-3-11(8-17-14)21(16,19)20/h2-4,6-8,13H,1,5,15H2,(H,17,18)(H2,16,19,20)
InChIKeyZIXCPDVQOOAOMH-UHFFFAOYSA-N
XLogP1.41
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide (CID 79722672) is 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide is Nc1ccc2c(c1)CCC2Nc1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide?
The InChIKey is ZIXCPDVQOOAOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-10-2-4-12-9(7-10)1-5-13(12)18-14-6-3-11(8-17-14)21(16,19)20/h2-4,6-8,13H,1,5,15H2,(H,17,18)(H2,16,19,20).
What are the key properties of 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide?
6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 79722672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).