N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C13H20F2N2O2S — CID 62641444

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C13H20F2N2O2S/c1-10(2)17(3)9-8-16-11-6-4-5-7-12(11)20(18,19)13(14)15/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyGYDKYUDHINNSFW-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.43
Rot. Bonds7

About N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62641444) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62641444
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C13H20F2N2O2S/c1-10(2)17(3)9-8-16-11-6-4-5-7-12(11)20(18,19)13(14)15/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyGYDKYUDHINNSFW-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62641444) is N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is GYDKYUDHINNSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c1-10(2)17(3)9-8-16-11-6-4-5-7-12(11)20(18,19)13(14)15/h4-7,10,13,16H,8-9H2,1-3H3.
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 306.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62641444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).