(4-ethylsulfonyl-3-fluorophenyl)methanamine

C9H12FNO2S — CID 91647706

IUPAC(4-ethylsulfonyl-3-fluorophenyl)methanamine
SMILESCCS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C9H12FNO2S/c1-2-14(12,13)9-4-3-7(6-11)5-8(9)10/h3-5H,2,6,11H2,1H3
InChIKeyZLWTVKLWMYSFTL-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.08
Rot. Bonds3

About (4-ethylsulfonyl-3-fluorophenyl)methanamine

(4-ethylsulfonyl-3-fluorophenyl)methanamine (PubChem CID 91647706) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is (4-ethylsulfonyl-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfonyl-3-fluorophenyl)methanamine
PubChem CID91647706
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name(4-ethylsulfonyl-3-fluorophenyl)methanamine
SMILESCCS(=O)(=O)c1ccc(CN)cc1F
InChIInChI=1S/C9H12FNO2S/c1-2-14(12,13)9-4-3-7(6-11)5-8(9)10/h3-5H,2,6,11H2,1H3
InChIKeyZLWTVKLWMYSFTL-UHFFFAOYSA-N
XLogP1.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylsulfonylbenzylamine
CID 57421
4-(Methylthio)benzylamine
CID 2760080
2-(4-(Benzenesulfonyl)phenyl)-1-aminoethane
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4-fluoro-N-[(3-methyl-2-thienyl)methyl]benzenesulfonamide
CID 2811531
(2-Methanesulfonylphenyl)methanamine
CID 16218335
(4-(Methanesulfonylmethyl)phenyl)methanamine
CID 45791392
4-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 2275256
4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 5190927
N-benzyl-4-(methylthio)benzenesulfonamide
CID 967740
N-(4-fluorobenzyl)-4-methylbenzenesulfonamide
CID 2165167
1-(4-(Methylsulfonyl)phenyl)propan-2-amine
CID 10890308
(4-Methylsulfonylphenyl)methylazanium;chloride
CID 57420

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonyl-3-fluorophenyl)methanamine?
The IUPAC name of (4-ethylsulfonyl-3-fluorophenyl)methanamine (CID 91647706) is (4-ethylsulfonyl-3-fluorophenyl)methanamine.
What is the SMILES notation for (4-ethylsulfonyl-3-fluorophenyl)methanamine?
The canonical SMILES for (4-ethylsulfonyl-3-fluorophenyl)methanamine is CCS(=O)(=O)c1ccc(CN)cc1F.
What is the InChIKey of (4-ethylsulfonyl-3-fluorophenyl)methanamine?
The InChIKey is ZLWTVKLWMYSFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-2-14(12,13)9-4-3-7(6-11)5-8(9)10/h3-5H,2,6,11H2,1H3.
What are the key properties of (4-ethylsulfonyl-3-fluorophenyl)methanamine?
(4-ethylsulfonyl-3-fluorophenyl)methanamine has a molecular weight of 217.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonyl-3-fluorophenyl)methanamine is sourced from PubChem (CID 91647706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).