N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide

C16H17F2NO3S — CID 110018858

IUPACN-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1F)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H17F2NO3S/c17-15-7-6-14(16(18)10-15)12-23(21,22)19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2
InChIKeyCDWCXUUNHSTOKM-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.29
Rot. Bonds7

About N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide

N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 110018858) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID110018858
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC NameN-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1F)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H17F2NO3S/c17-15-7-6-14(16(18)10-15)12-23(21,22)19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2
InChIKeyCDWCXUUNHSTOKM-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
CID 62197006
N-(2-hydroxyethyl)-1-phenyl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 75421892
N-benzyl-2-chloro-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 63389209
2-[2-[benzyl(2-hydroxyethyl)amino]-4-fluorophenyl]acetamide
CID 140564775
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 110018886
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-(benzenesulfonyl)-N-[(2,4-difluorophenyl)methyl]-N-methylethanamine
CID 134001645
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide (CID 110018858) is N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1F)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is CDWCXUUNHSTOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c17-15-7-6-14(16(18)10-15)12-23(21,22)19(8-9-20)11-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2.
What are the key properties of N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 110018858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).