2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine

C10H14F2N2O2S — CID 55230611

IUPAC2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
SMILESCS(=O)(=O)CCNc1ccc(N)cc1C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-17(15,16)5-4-14-9-3-2-7(13)6-8(9)10(11)12/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyDUKMXRFHPBDUTI-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.66
Rot. Bonds5

About 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine (PubChem CID 55230611) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
PubChem CID55230611
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
SMILESCS(=O)(=O)CCNc1ccc(N)cc1C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-17(15,16)5-4-14-9-3-2-7(13)6-8(9)10(11)12/h2-3,6,10,14H,4-5,13H2,1H3
InChIKeyDUKMXRFHPBDUTI-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-1-N-octylbenzene-1,4-diamine
CID 115566133
2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine
CID 115324658
2-(difluoromethyl)-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 63983332
2-(difluoromethyl)-1-N-(2-methylbutan-2-yl)benzene-1,4-diamine
CID 63750242
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459
2-(difluoromethyl)-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 63749720
2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide
CID 63734081
ethyl 5-amino-2-(2-methylsulfonylethylamino)benzoate
CID 61312260
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008
2-[2-(difluoromethyl)-4-nitroanilino]ethanesulfonamide
CID 63748992
2-(difluoromethyl)-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 63734281

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine (CID 55230611) is 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine is CS(=O)(=O)CCNc1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The InChIKey is DUKMXRFHPBDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-17(15,16)5-4-14-9-3-2-7(13)6-8(9)10(11)12/h2-3,6,10,14H,4-5,13H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine has a molecular weight of 264.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine is sourced from PubChem (CID 55230611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).