N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide

C15H16FNO4S2 — CID 31534239

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16FNO4S2/c1-17(11-12-4-3-5-13(16)10-12)23(20,21)15-8-6-14(7-9-15)22(2,18)19/h3-10H,11H2,1-2H3
InChIKeyWEVLYMROTSFNNL-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.05
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide

N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide (PubChem CID 31534239) has the molecular formula C15H16FNO4S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
PubChem CID31534239
Molecular FormulaC15H16FNO4S2
Molecular Weight357.43 g/mol
Exact Mass357.05
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16FNO4S2/c1-17(11-12-4-3-5-13(16)10-12)23(20,21)15-8-6-14(7-9-15)22(2,18)19/h3-10H,11H2,1-2H3
InChIKeyWEVLYMROTSFNNL-UHFFFAOYSA-N
XLogP2.05
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 43256607
N-[(3-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391407
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 78793283
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 51127416
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534310
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559480
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534668
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945810
3-fluoro-N-methyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]benzenesulfonamide
CID 166402631
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide (CID 31534239) is N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide is CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
The InChIKey is WEVLYMROTSFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S2/c1-17(11-12-4-3-5-13(16)10-12)23(20,21)15-8-6-14(7-9-15)22(2,18)19/h3-10H,11H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide?
N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 31534239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).