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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Related Compounds

N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
CID 60870242
N'-cyclopropyl-N'-pyridin-4-ylethane-1,2-diamine
CID 63759399
4-[2-chloroethyl(cyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63389826
2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol
CID 61146533
2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
CID 61146204
4-(difluoromethylsulfonyl)aniline
CID 825467
N-(cyclohexylmethyl)-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]cyclopropanamine
CID 112840908
2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine
CID 103894507
N-(2-bromoethyl)-N-cyclopropyl-4-propylsulfonylaniline
CID 80667657
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylaniline
CID 63388693
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325

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).