N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide

C16H18N2O2S — CID 79723350

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCc3cc(N)ccc32)cc1
InChIInChI=1S/C16H18N2O2S/c1-11-2-6-14(7-3-11)21(19,20)18-16-9-4-12-10-13(17)5-8-15(12)16/h2-3,5-8,10,16,18H,4,9,17H2,1H3
InChIKeyQBAIWZPTZZQFRI-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.54
Rot. Bonds3

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide (PubChem CID 79723350) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
PubChem CID79723350
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCc3cc(N)ccc32)cc1
InChIInChI=1S/C16H18N2O2S/c1-11-2-6-14(7-3-11)21(19,20)18-16-9-4-12-10-13(17)5-8-15(12)16/h2-3,5-8,10,16,18H,4,9,17H2,1H3
InChIKeyQBAIWZPTZZQFRI-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide (CID 79723350) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCc3cc(N)ccc32)cc1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is QBAIWZPTZZQFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-2-6-14(7-3-11)21(19,20)18-16-9-4-12-10-13(17)5-8-15(12)16/h2-3,5-8,10,16,18H,4,9,17H2,1H3.
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 79723350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).