1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide

C16H18N2O2S — CID 107843569

IUPAC1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H18N2O2S/c17-15-7-3-4-12(8-15)11-21(19,20)18-16-9-13-5-1-2-6-14(13)10-16/h1-8,16,18H,9-11,17H2
InChIKeyCEDWBIULFKFTRZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide

1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide (PubChem CID 107843569) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide
PubChem CID107843569
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H18N2O2S/c17-15-7-3-4-12(8-15)11-21(19,20)18-16-9-13-5-1-2-6-14(13)10-16/h1-8,16,18H,9-11,17H2
InChIKeyCEDWBIULFKFTRZ-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.86
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

1-(3-aminophenyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)methanesulfonamide
CID 61116120
1-(3-aminophenyl)-N-(3-methylcyclohexyl)methanesulfonamide
CID 43317757
1-(3-aminophenyl)-N-(2,2,3,3-tetramethylcyclopropyl)methanesulfonamide
CID 79351600
1-(3-aminophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114628418
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
2-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 45117541
1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide
CID 55033603
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
1-[3-(aminomethyl)phenyl]-N-cyclopentylmethanesulfonamide
CID 54885816
1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
CID 63995025
N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine
CID 12823187
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide (CID 107843569) is 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide is Nc1cccc(CS(=O)(=O)NC2Cc3ccccc3C2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
The InChIKey is CEDWBIULFKFTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c17-15-7-3-4-12(8-15)11-21(19,20)18-16-9-13-5-1-2-6-14(13)10-16/h1-8,16,18H,9-11,17H2.
What are the key properties of 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide?
1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-2-yl)methanesulfonamide is sourced from PubChem (CID 107843569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).