N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine

C12H16F2N2O2S — CID 55241222

IUPACN'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESNCCN(c1ccc(S(=O)(=O)C(F)F)cc1)C1CC1
InChIInChI=1S/C12H16F2N2O2S/c13-12(14)19(17,18)11-5-3-10(4-6-11)16(8-7-15)9-1-2-9/h3-6,9,12H,1-2,7-8,15H2
InChIKeyQZEVXYCVRNMHCR-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.61
Rot. Bonds6

About N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine

N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine (PubChem CID 55241222) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
PubChem CID55241222
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC NameN'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESNCCN(c1ccc(S(=O)(=O)C(F)F)cc1)C1CC1
InChIInChI=1S/C12H16F2N2O2S/c13-12(14)19(17,18)11-5-3-10(4-6-11)16(8-7-15)9-1-2-9/h3-6,9,12H,1-2,7-8,15H2
InChIKeyQZEVXYCVRNMHCR-UHFFFAOYSA-N
XLogP1.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine (CID 55241222) is N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine is NCCN(c1ccc(S(=O)(=O)C(F)F)cc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The InChIKey is QZEVXYCVRNMHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c13-12(14)19(17,18)11-5-3-10(4-6-11)16(8-7-15)9-1-2-9/h3-6,9,12H,1-2,7-8,15H2.
What are the key properties of N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine has a molecular weight of 290.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 55241222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).