N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide

C16H17NO2S — CID 15835331

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1
InChIInChI=1S/C16H17NO2S/c1-12-6-9-14(10-7-12)20(18,19)17-16-11-8-13-4-2-3-5-15(13)16/h2-7,9-10,16-17H,8,11H2,1H3/t16-/m1/s1
InChIKeyFFIKGCMGCYXTKX-MRXNPFEDSA-N
MW287.38 g/mol
LogP2.96
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide (PubChem CID 15835331) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide
PubChem CID15835331
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1
InChIInChI=1S/C16H17NO2S/c1-12-6-9-14(10-7-12)20(18,19)17-16-11-8-13-4-2-3-5-15(13)16/h2-7,9-10,16-17H,8,11H2,1H3/t16-/m1/s1
InChIKeyFFIKGCMGCYXTKX-MRXNPFEDSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide (CID 15835331) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide?
The InChIKey is FFIKGCMGCYXTKX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-6-9-14(10-7-12)20(18,19)17-16-11-8-13-4-2-3-5-15(13)16/h2-7,9-10,16-17H,8,11H2,1H3/t16-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15835331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).