N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide

C17H20F2N2O3S — CID 18958084

IUPACN-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide
SMILESCN(Cc1ccccc1)CC(O)c1cc(NS(C)(=O)=O)c(F)cc1F
InChIInChI=1S/C17H20F2N2O3S/c1-21(10-12-6-4-3-5-7-12)11-17(22)13-8-16(20-25(2,23)24)15(19)9-14(13)18/h3-9,17,20,22H,10-11H2,1-2H3
InChIKeyQAKQBBQYBLZRIQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.50
Rot. Bonds7

About N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide

N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide (PubChem CID 18958084) has the molecular formula C17H20F2N2O3S and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide
PubChem CID18958084
Molecular FormulaC17H20F2N2O3S
Molecular Weight370.42 g/mol
Exact Mass370.12
IUPAC NameN-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide
SMILESCN(Cc1ccccc1)CC(O)c1cc(NS(C)(=O)=O)c(F)cc1F
InChIInChI=1S/C17H20F2N2O3S/c1-21(10-12-6-4-3-5-7-12)11-17(22)13-8-16(20-25(2,23)24)15(19)9-14(13)18/h3-9,17,20,22H,10-11H2,1-2H3
InChIKeyQAKQBBQYBLZRIQ-UHFFFAOYSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-[benzyl(methyl)amino]propan-2-yl]-3-(2,4,5-trifluorophenyl)urea
CID 97259038
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
1-(2-aminophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 62266116
1-[2-[1-[benzyl(methyl)amino]propan-2-ylamino]-6-fluorophenyl]ethanone
CID 133435868
(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 94957732
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
4-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-methylamino]methyl]benzonitrile
CID 110897867
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
1-N-benzyl-1-N-methyl-2-N-(4-methylsulfonylphenyl)propane-1,2-diamine
CID 133452642
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425
N-[5-fluoro-2-(methanesulfonamido)phenyl]-2-phenylacetamide
CID 113093344

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide (CID 18958084) is N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide is CN(Cc1ccccc1)CC(O)c1cc(NS(C)(=O)=O)c(F)cc1F.
What is the InChIKey of N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide?
The InChIKey is QAKQBBQYBLZRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3S/c1-21(10-12-6-4-3-5-7-12)11-17(22)13-8-16(20-25(2,23)24)15(19)9-14(13)18/h3-9,17,20,22H,10-11H2,1-2H3.
What are the key properties of N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide?
N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide has a molecular weight of 370.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-2,4-difluorophenyl]methanesulfonamide is sourced from PubChem (CID 18958084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).