N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide

C15H13ClFNO2S — CID 65032748

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO2S/c16-14-9-10-3-1-2-4-13(10)15(14)18-21(19,20)12-7-5-11(17)6-8-12/h1-8,14-15,18H,9H2
InChIKeyICEFKXLANRNIPM-UHFFFAOYSA-N
MW325.79 g/mol
LogP3.01
Rot. Bonds3

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide (PubChem CID 65032748) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide
PubChem CID65032748
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1c2ccccc2CC1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO2S/c16-14-9-10-3-1-2-4-13(10)15(14)18-21(19,20)12-7-5-11(17)6-8-12/h1-8,14-15,18H,9H2
InChIKeyICEFKXLANRNIPM-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide (CID 65032748) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide is O=S(=O)(NC1c2ccccc2CC1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide?
The InChIKey is ICEFKXLANRNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c16-14-9-10-3-1-2-4-13(10)15(14)18-21(19,20)12-7-5-11(17)6-8-12/h1-8,14-15,18H,9H2.
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide has a molecular weight of 325.79 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 65032748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).