2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol

C10H13F2NO3S — CID 61146533

IUPAC2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO3S/c1-13(6-7-14)8-2-4-9(5-3-8)17(15,16)10(11)12/h2-5,10,14H,6-7H2,1H3
InChIKeyARTCQEZSDQYXNJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol

2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol (PubChem CID 61146533) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol
PubChem CID61146533
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO3S/c1-13(6-7-14)8-2-4-9(5-3-8)17(15,16)10(11)12/h2-5,10,14H,6-7H2,1H3
InChIKeyARTCQEZSDQYXNJ-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(difluoromethylsulfonyl)-N-methylanilino]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-propan-2-ylanilino]ethanol
CID 61146204
4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline
CID 159311324
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
CID 60870242
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 133429859
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585680
N-(2-chloroethyl)-N-methyl-4-(trifluoromethylsulfonyl)aniline
CID 63388790
N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 55241222
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
2-(4-isocyanato-N-methylanilino)ethanol
CID 169353633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol (CID 61146533) is 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol is CN(CCO)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol?
The InChIKey is ARTCQEZSDQYXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-13(6-7-14)8-2-4-9(5-3-8)17(15,16)10(11)12/h2-5,10,14H,6-7H2,1H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol?
2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol has a molecular weight of 265.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol is sourced from PubChem (CID 61146533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).