N-(4-fluorophenyl)-3-methylbenzenesulfinamide

C13H12FNOS — CID 170976971

IUPACN-(4-fluorophenyl)-3-methylbenzenesulfinamide
SMILESCc1cccc(S(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C13H12FNOS/c1-10-3-2-4-13(9-10)17(16)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3
InChIKeyPSFRATNSSKYTRL-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.27
Rot. Bonds3

About N-(4-fluorophenyl)-3-methylbenzenesulfinamide

N-(4-fluorophenyl)-3-methylbenzenesulfinamide (PubChem CID 170976971) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methylbenzenesulfinamide
PubChem CID170976971
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC NameN-(4-fluorophenyl)-3-methylbenzenesulfinamide
SMILESCc1cccc(S(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C13H12FNOS/c1-10-3-2-4-13(9-10)17(16)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3
InChIKeyPSFRATNSSKYTRL-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methylbenzenesulfinamide?
The IUPAC name of N-(4-fluorophenyl)-3-methylbenzenesulfinamide (CID 170976971) is N-(4-fluorophenyl)-3-methylbenzenesulfinamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methylbenzenesulfinamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methylbenzenesulfinamide is Cc1cccc(S(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-methylbenzenesulfinamide?
The InChIKey is PSFRATNSSKYTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c1-10-3-2-4-13(9-10)17(16)15-12-7-5-11(14)6-8-12/h2-9,15H,1H3.
What are the key properties of N-(4-fluorophenyl)-3-methylbenzenesulfinamide?
N-(4-fluorophenyl)-3-methylbenzenesulfinamide has a molecular weight of 249.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methylbenzenesulfinamide is sourced from PubChem (CID 170976971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).