2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol

C12H17F2NO3S — CID 61146204

IUPAC2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H17F2NO3S/c1-9(2)15(7-8-16)10-3-5-11(6-4-10)19(17,18)12(13)14/h3-6,9,12,16H,7-8H2,1-2H3
InChIKeyJLSXXNUKNAWWTH-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.89
Rot. Bonds6

About 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol

2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol (PubChem CID 61146204) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
PubChem CID61146204
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H17F2NO3S/c1-9(2)15(7-8-16)10-3-5-11(6-4-10)19(17,18)12(13)14/h3-6,9,12,16H,7-8H2,1-2H3
InChIKeyJLSXXNUKNAWWTH-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol
CID 61146533
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
CID 60870242
2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
CID 61147145
4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide
CID 61146670
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585680
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 112820223
3-[[4-(difluoromethylsulfonyl)anilino]methyl]-5-methylhexan-1-ol
CID 111515648
3-[4-(difluoromethylsulfonyl)phenyl]butan-2-amine
CID 63198079
N-butyl-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]butan-1-amine
CID 112814799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol (CID 61146204) is 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol is CC(C)N(CCO)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol?
The InChIKey is JLSXXNUKNAWWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-9(2)15(7-8-16)10-3-5-11(6-4-10)19(17,18)12(13)14/h3-6,9,12,16H,7-8H2,1-2H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol?
2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol has a molecular weight of 293.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol is sourced from PubChem (CID 61146204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).