3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide

C15H15FN2O2S — CID 107843583

IUPAC3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C15H15FN2O2S/c16-12-7-13(17)9-15(8-12)21(19,20)18-14-5-10-3-1-2-4-11(10)6-14/h1-4,7-9,14,18H,5-6,17H2
InChIKeyKXLLWPUEWCNDMT-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.85
Rot. Bonds3

About 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide

3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide (PubChem CID 107843583) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide
PubChem CID107843583
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C15H15FN2O2S/c16-12-7-13(17)9-15(8-12)21(19,20)18-14-5-10-3-1-2-4-11(10)6-14/h1-4,7-9,14,18H,5-6,17H2
InChIKeyKXLLWPUEWCNDMT-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 55204348
3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide
CID 63321949
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
2-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 45117541
5-amino-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107843564
N-(3-aminocyclobutyl)-3,5-difluorobenzenesulfonamide
CID 43597821
3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107854598
N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087840
3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358757
3-amino-N-(2-cyanophenyl)-5-fluorobenzenesulfonamide
CID 63321859
4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 107847878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide (CID 107843583) is 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NC2Cc3ccccc3C2)c1.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide?
The InChIKey is KXLLWPUEWCNDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-7-13(17)9-15(8-12)21(19,20)18-14-5-10-3-1-2-4-11(10)6-14/h1-4,7-9,14,18H,5-6,17H2.
What are the key properties of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide?
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 107843583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).