(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride

C8H11ClFNO2S — CID 66877132

IUPAC(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride
SMILESCS(=O)(=O)c1ccc(F)cc1CN.Cl
InChIInChI=1S/C8H10FNO2S.ClH/c1-13(11,12)8-3-2-7(9)4-6(8)5-10;/h2-4H,5,10H2,1H3;1H
InChIKeyANLUBQQAKVXPIY-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.11
Rot. Bonds2

About (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride

(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride (PubChem CID 66877132) has the molecular formula C8H11ClFNO2S and a molecular weight of 239.70 g/mol. Its IUPAC name is (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride
PubChem CID66877132
Molecular FormulaC8H11ClFNO2S
Molecular Weight239.70 g/mol
Exact Mass239.02
IUPAC Name(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride
SMILESCS(=O)(=O)c1ccc(F)cc1CN.Cl
InChIInChI=1S/C8H10FNO2S.ClH/c1-13(11,12)8-3-2-7(9)4-6(8)5-10;/h2-4H,5,10H2,1H3;1H
InChIKeyANLUBQQAKVXPIY-UHFFFAOYSA-N
XLogP1.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-difluoro-4-methylsulfonylphenyl)methanamine
CID 117315311
5-fluoro-2-methylsulfonylaniline
CID 22567345
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
CID 66878651
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfonyl-4-fluorobenzene
CID 68919271
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
1-(bromomethyl)-4-fluoro-2-methylsulfonylbenzene
CID 58836824
[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 64763561
2-tert-butyl-4-fluoro-1-methylsulfonylbenzene
CID 129167909
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
[4-fluoro-2-(2-methylpropylsulfonylmethyl)phenyl]methanamine
CID 64764702

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride?
The IUPAC name of (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride (CID 66877132) is (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride?
The canonical SMILES for (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride is CS(=O)(=O)c1ccc(F)cc1CN.Cl.
What is the InChIKey of (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride?
The InChIKey is ANLUBQQAKVXPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S.ClH/c1-13(11,12)8-3-2-7(9)4-6(8)5-10;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride?
(5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylsulfonylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 66877132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).