(2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide

C14H13FNO2S- — CID 4743595

IUPAC(2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide
SMILESCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FNO2S/c1-10-4-3-5-11(2)14(10)16-19(17,18)13-8-6-12(15)7-9-13/h3-9H,1-2H3/q-1
InChIKeyQXXGPZKAQZEPHO-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.84
Rot. Bonds3

About (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide

(2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide (PubChem CID 4743595) has the molecular formula C14H13FNO2S- and a molecular weight of 278.33 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide
PubChem CID4743595
Molecular FormulaC14H13FNO2S-
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide
SMILESCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FNO2S/c1-10-4-3-5-11(2)14(10)16-19(17,18)13-8-6-12(15)7-9-13/h3-9H,1-2H3/q-1
InChIKeyQXXGPZKAQZEPHO-UHFFFAOYSA-N
XLogP3.84
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide?
The IUPAC name of (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide (CID 4743595) is (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide.
What is the SMILES notation for (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide?
The canonical SMILES for (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide is Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide?
The InChIKey is QXXGPZKAQZEPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FNO2S/c1-10-4-3-5-11(2)14(10)16-19(17,18)13-8-6-12(15)7-9-13/h3-9H,1-2H3/q-1.
What are the key properties of (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide?
(2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide has a molecular weight of 278.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide is sourced from PubChem (CID 4743595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).