(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine

C10H11F2NO2S — CID 170972345

IUPAC(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine
SMILESNC/C(=C\F)CS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H11F2NO2S/c11-5-8(6-13)7-16(14,15)10-3-1-2-9(12)4-10/h1-5H,6-7,13H2/b8-5+
InChIKeyKZZMIMXNNDSVJP-VMPITWQZSA-N
MW247.27 g/mol
LogP1.41
Rot. Bonds4

About (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine

(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine (PubChem CID 170972345) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine
PubChem CID170972345
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine
SMILESNC/C(=C\F)CS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H11F2NO2S/c11-5-8(6-13)7-16(14,15)10-3-1-2-9(12)4-10/h1-5H,6-7,13H2/b8-5+
InChIKeyKZZMIMXNNDSVJP-VMPITWQZSA-N
XLogP1.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-fluoro-2-[(3-methylphenyl)sulfonylmethyl]prop-2-en-1-amine
CID 170972349
3-fluoro-2-[(3-fluorophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983127
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
CID 106584676
(2E)-2-(fluoromethylidene)-4-(3-fluorophenyl)butan-1-amine;2,2,2-trifluoroacetic acid
CID 66982732
3-(3-fluorophenyl)sulfonylpropane-1,2-diol
CID 111969337
1-fluoro-3-[(3-fluorophenyl)sulfanylmethylsulfanyl]benzene;1-fluoro-3-[(3-fluorophenyl)sulfonylmethylsulfonyl]benzene
CID 160960223
N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide
CID 166681059
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-fluorophenyl)sulfonylethanone
CID 103740941
(Z)-2-[(2,5-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 25013630
[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486173
6-(3-fluorophenyl)sulfonylhexan-2-ol
CID 106585275

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine (CID 170972345) is (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine is NC/C(=C\F)CS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine?
The InChIKey is KZZMIMXNNDSVJP-VMPITWQZSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c11-5-8(6-13)7-16(14,15)10-3-1-2-9(12)4-10/h1-5H,6-7,13H2/b8-5+.
What are the key properties of (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine has a molecular weight of 247.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine is sourced from PubChem (CID 170972345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).