[3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine

C14H13F2NO2S — CID 64698419

IUPAC[3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine
SMILESNCc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2NO2S/c15-12-4-5-14(13(16)7-12)20(18,19)9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2
InChIKeyDMHMUTZHJZFXFQ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.40
Rot. Bonds4

About [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine

[3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine (PubChem CID 64698419) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine
PubChem CID64698419
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name[3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine
SMILESNCc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2NO2S/c15-12-4-5-14(13(16)7-12)20(18,19)9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2
InChIKeyDMHMUTZHJZFXFQ-UHFFFAOYSA-N
XLogP2.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705
2-[1-[(2,4-difluorophenyl)sulfonylmethyl]cyclopropyl]ethanamine
CID 65494913
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
3-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzonitrile
CID 81192280
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[[1-(bromomethyl)cyclopentyl]methylsulfonyl]-2,4-difluorobenzene
CID 65001618
1-[[1-(bromomethyl)cyclobutyl]methylsulfonyl]-2,4-difluorobenzene
CID 65009748
1-[3-[[4-(2,4-difluorophenyl)-2-methylphenyl]sulfonylmethyl]phenyl]-N,N-dimethylmethanamine
CID 58378875
5-[(2,4-difluorophenyl)sulfonylmethyl]-2-methylidene-1,3-dihydroindole
CID 165006333
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
2-[(3,5-difluorophenyl)methylsulfonyl]-5-fluoroaniline
CID 105411581

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine (CID 64698419) is [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine is NCc1cccc(CS(=O)(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is DMHMUTZHJZFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c15-12-4-5-14(13(16)7-12)20(18,19)9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2.
What are the key properties of [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine?
[3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 297.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-difluorophenyl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 64698419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).