(1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C15H18F2N2O3S — CID 95620062

IUPAC(1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)[C@@H](CNc1ccccc1S(=O)(=O)C(F)F)c1ccco1
InChIInChI=1S/C15H18F2N2O3S/c1-19(2)12(13-7-5-9-22-13)10-18-11-6-3-4-8-14(11)23(20,21)15(16)17/h3-9,12,15,18H,10H2,1-2H3/t12-/m0/s1
InChIKeyOZHZHLJNPWMHDD-LBPRGKRZSA-N
MW344.38 g/mol
LogP2.99
Rot. Bonds7

About (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

(1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 95620062) has the molecular formula C15H18F2N2O3S and a molecular weight of 344.38 g/mol. Its IUPAC name is (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID95620062
Molecular FormulaC15H18F2N2O3S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC Name(1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)[C@@H](CNc1ccccc1S(=O)(=O)C(F)F)c1ccco1
InChIInChI=1S/C15H18F2N2O3S/c1-19(2)12(13-7-5-9-22-13)10-18-11-6-3-4-8-14(11)23(20,21)15(16)17/h3-9,12,15,18H,10H2,1-2H3/t12-/m0/s1
InChIKeyOZHZHLJNPWMHDD-LBPRGKRZSA-N
XLogP2.99
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 95620062) is (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)[C@@H](CNc1ccccc1S(=O)(=O)C(F)F)c1ccco1.
What is the InChIKey of (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is OZHZHLJNPWMHDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18F2N2O3S/c1-19(2)12(13-7-5-9-22-13)10-18-11-6-3-4-8-14(11)23(20,21)15(16)17/h3-9,12,15,18H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
(1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 344.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-[2-(difluoromethylsulfonyl)phenyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 95620062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).