N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide

C16H17FN2O3S — CID 18152498

IUPACN-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccccc1C(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H17FN2O3S/c1-19(23(2,21)22)15-10-6-4-8-13(15)16(20)18-11-12-7-3-5-9-14(12)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyYIFRICZOLGKREG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.15
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 18152498) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID18152498
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccccc1C(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H17FN2O3S/c1-19(23(2,21)22)15-10-6-4-8-13(15)16(20)18-11-12-7-3-5-9-14(12)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyYIFRICZOLGKREG-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
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2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
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2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
2-[2-(dimethylamino)ethoxy]-N-[(2-fluorophenyl)methyl]benzamide
CID 86991961
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 18152498) is N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccccc1C(=O)NCc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is YIFRICZOLGKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-19(23(2,21)22)15-10-6-4-8-13(15)16(20)18-11-12-7-3-5-9-14(12)17/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 18152498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).