N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide

C10H13F2NO3S — CID 62115109

IUPACN-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCO)Cc1ccccc1
InChIInChI=1S/C10H13F2NO3S/c11-10(12)17(15,16)13(6-7-14)8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2
InChIKeyFYTJGLVCFDYRCK-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.03
Rot. Bonds6

About N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide

N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 62115109) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID62115109
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC NameN-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(C(F)F)N(CCO)Cc1ccccc1
InChIInChI=1S/C10H13F2NO3S/c11-10(12)17(15,16)13(6-7-14)8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2
InChIKeyFYTJGLVCFDYRCK-UHFFFAOYSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Fluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 783973
2-[(4-Fluoro-benzyl)-(2-hydroxy-ethyl)-amino]-ethanol
CID 11042091
benzylamine, 3-fluoro-N,N-bis(2-hydroxyethyl)-
CID 60686224
N-benzyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]ethenesulfonamide
CID 44142174
2-Hydroxyethyl-[(3-iodophenyl)methyl]-dimethylazanium;methanesulfonate
CID 137375833
2-[1-[(3-Iodophenyl)methyl]pyrrolidin-1-ium-1-yl]ethanol;methanesulfonate
CID 137375847
Trifluoro-methanesulfonic acid 1-benzyl-1,2,5,6-tetrahydro-pyridin-3-yl ester
CID 10947197
2-[(2,6-Difluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 756825
2-[(3,4-Difluorobenzyl)(propyl)amino]ethanol
CID 782514
2-[(2,4-Difluorophenyl)methyl-propylamino]ethanol
CID 783703
2-[(2,6-Difluorobenzyl)(propyl)amino]ethanol
CID 3765365
2,2'-(2,4-Difluorobenzylazanediyl)diethanol
CID 23960899

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide (CID 62115109) is N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide is O=S(=O)(C(F)F)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is FYTJGLVCFDYRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c11-10(12)17(15,16)13(6-7-14)8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2.
What are the key properties of N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 62115109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).