(2,3-difluoro-4-methylsulfonylphenyl)methanamine

C8H9F2NO2S — CID 117315311

IUPAC(2,3-difluoro-4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(CN)c(F)c1F
InChIInChI=1S/C8H9F2NO2S/c1-14(12,13)6-3-2-5(4-11)7(9)8(6)10/h2-3H,4,11H2,1H3
InChIKeyLBHHCVVYVDTONC-UHFFFAOYSA-N
MW221.23 g/mol
LogP0.83
Rot. Bonds2

About (2,3-difluoro-4-methylsulfonylphenyl)methanamine

(2,3-difluoro-4-methylsulfonylphenyl)methanamine (PubChem CID 117315311) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is (2,3-difluoro-4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylsulfonylphenyl)methanamine
PubChem CID117315311
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC Name(2,3-difluoro-4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(CN)c(F)c1F
InChIInChI=1S/C8H9F2NO2S/c1-14(12,13)6-3-2-5(4-11)7(9)8(6)10/h2-3H,4,11H2,1H3
InChIKeyLBHHCVVYVDTONC-UHFFFAOYSA-N
XLogP0.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride
CID 66877132
6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
1-[(2,3-difluoro-4-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409977
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370209
3-(2-fluoro-3-methylsulfonylphenyl)propan-1-amine
CID 117334339
6-(2-amino-2-methylpropyl)-2-fluoro-3-methylsulfonylphenol
CID 117407300
[2,3-bis(methylsulfonyl)phenyl]methanamine
CID 117412708
(4-bromo-2,3-difluorophenyl)methanamine
CID 66820102
(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
3-amino-1-(2,6-difluoro-3-methylsulfonylphenyl)propan-1-one
CID 117412070
2,3-difluoro-4-methylsulfonylbenzonitrile
CID 117308866

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylsulfonylphenyl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylsulfonylphenyl)methanamine (CID 117315311) is (2,3-difluoro-4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylsulfonylphenyl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc(CN)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylsulfonylphenyl)methanamine?
The InChIKey is LBHHCVVYVDTONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2S/c1-14(12,13)6-3-2-5(4-11)7(9)8(6)10/h2-3H,4,11H2,1H3.
What are the key properties of (2,3-difluoro-4-methylsulfonylphenyl)methanamine?
(2,3-difluoro-4-methylsulfonylphenyl)methanamine has a molecular weight of 221.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 117315311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).