5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine

C14H15F2N3O2S — CID 167860586

IUPAC5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine
SMILESCS(=O)(=O)CC(Nc1cnc(C(F)F)cn1)c1ccccc1
InChIInChI=1S/C14H15F2N3O2S/c1-22(20,21)9-12(10-5-3-2-4-6-10)19-13-8-17-11(7-18-13)14(15)16/h2-8,12,14H,9H2,1H3,(H,18,19)
InChIKeyDDOJAMDWVRXKFM-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.61
Rot. Bonds6

About 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine

5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine (PubChem CID 167860586) has the molecular formula C14H15F2N3O2S and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine
PubChem CID167860586
Molecular FormulaC14H15F2N3O2S
Molecular Weight327.36 g/mol
Exact Mass327.09
IUPAC Name5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine
SMILESCS(=O)(=O)CC(Nc1cnc(C(F)F)cn1)c1ccccc1
InChIInChI=1S/C14H15F2N3O2S/c1-22(20,21)9-12(10-5-3-2-4-6-10)19-13-8-17-11(7-18-13)14(15)16/h2-8,12,14H,9H2,1H3,(H,18,19)
InChIKeyDDOJAMDWVRXKFM-UHFFFAOYSA-N
XLogP2.61
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine (CID 167860586) is 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine is CS(=O)(=O)CC(Nc1cnc(C(F)F)cn1)c1ccccc1.
What is the InChIKey of 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine?
The InChIKey is DDOJAMDWVRXKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S/c1-22(20,21)9-12(10-5-3-2-4-6-10)19-13-8-17-11(7-18-13)14(15)16/h2-8,12,14H,9H2,1H3,(H,18,19).
What are the key properties of 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine?
5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine has a molecular weight of 327.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(2-methylsulfonyl-1-phenylethyl)pyrazin-2-amine is sourced from PubChem (CID 167860586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).