2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide

C16H14N2O2S — CID 3592960

IUPAC2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H14N2O2S/c17-11-14-7-3-4-8-16(14)21(19,20)18-15-9-12-5-1-2-6-13(12)10-15/h1-8,15,18H,9-10H2
InChIKeyAMCCBGWRYVLLBK-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.00
Rot. Bonds3

About 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide

2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide (PubChem CID 3592960) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
PubChem CID3592960
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H14N2O2S/c17-11-14-7-3-4-8-16(14)21(19,20)18-15-9-12-5-1-2-6-13(12)10-15/h1-8,15,18H,9-10H2
InChIKeyAMCCBGWRYVLLBK-UHFFFAOYSA-N
XLogP2.00
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2,3-dihydro-1H-indene-5-sulfonamide
CID 20347846
N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823462
2-amino-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 45263204
N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide
CID 11617056
N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 286369
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-cyanobenzenesulfonamide
CID 4834284
N-[(2R)-1-cyano-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102465039
T5949892
CID 312867
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-methylbenzenesulfonamide
CID 15835331
4-cyano-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3590491
2-cyano-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 8470468
n-(2,3-Dihydro-1h-inden-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 25024097

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide (CID 3592960) is 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
The InChIKey is AMCCBGWRYVLLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-11-14-7-3-4-8-16(14)21(19,20)18-15-9-12-5-1-2-6-13(12)10-15/h1-8,15,18H,9-10H2.
What are the key properties of 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide?
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide has a molecular weight of 298.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide is sourced from PubChem (CID 3592960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).