[2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid

C16H16F2N2O4S — CID 69266148

IUPAC[2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(-c2cccc(F)c2N(C)S(C)(=O)=O)cc1F
InChIInChI=1S/C16H16F2N2O4S/c1-19(16(21)22)14-8-7-10(9-13(14)18)11-5-4-6-12(17)15(11)20(2)25(3,23)24/h4-9H,1-3H3,(H,21,22)
InChIKeyPJFBYHUWJZZNPI-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.14
Rot. Bonds4

About [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid

[2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid (PubChem CID 69266148) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid
PubChem CID69266148
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name[2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(-c2cccc(F)c2N(C)S(C)(=O)=O)cc1F
InChIInChI=1S/C16H16F2N2O4S/c1-19(16(21)22)14-8-7-10(9-13(14)18)11-5-4-6-12(17)15(11)20(2)25(3,23)24/h4-9H,1-3H3,(H,21,22)
InChIKeyPJFBYHUWJZZNPI-UHFFFAOYSA-N
XLogP3.14
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid?
The IUPAC name of [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid (CID 69266148) is [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid.
What is the SMILES notation for [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid?
The canonical SMILES for [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid is CN(C(=O)O)c1ccc(-c2cccc(F)c2N(C)S(C)(=O)=O)cc1F.
What is the InChIKey of [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid?
The InChIKey is PJFBYHUWJZZNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-19(16(21)22)14-8-7-10(9-13(14)18)11-5-4-6-12(17)15(11)20(2)25(3,23)24/h4-9H,1-3H3,(H,21,22).
What are the key properties of [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid?
[2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid has a molecular weight of 370.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[3-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]phenyl]-methylcarbamic acid is sourced from PubChem (CID 69266148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).