N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide

C14H14FNO3S2 — CID 163201515

IUPACN-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(=O)(F)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14FNO3S2/c1-11-3-7-13(8-4-11)20(15,17)16-21(18,19)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyMIOMSNHAZRAILC-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.40
Rot. Bonds3

About N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide

N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide (PubChem CID 163201515) has the molecular formula C14H14FNO3S2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
PubChem CID163201515
Molecular FormulaC14H14FNO3S2
Molecular Weight327.40 g/mol
Exact Mass327.04
IUPAC NameN-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(=O)(F)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14FNO3S2/c1-11-3-7-13(8-4-11)20(15,17)16-21(18,19)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyMIOMSNHAZRAILC-UHFFFAOYSA-N
XLogP3.40
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide (CID 163201515) is N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=S(=O)(F)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
The InChIKey is MIOMSNHAZRAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S2/c1-11-3-7-13(8-4-11)20(15,17)16-21(18,19)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide?
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide has a molecular weight of 327.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 163201515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).