N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide

C16H17F2NO4S — CID 51169219

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2NO4S/c1-19(11-12-7-9-13(10-8-12)23-16(17)18)24(20,21)15-6-4-3-5-14(15)22-2/h3-10,16H,11H2,1-2H3
InChIKeyTURKJQMKZLYOEO-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.12
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 51169219) has the molecular formula C16H17F2NO4S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide
PubChem CID51169219
Molecular FormulaC16H17F2NO4S
Molecular Weight357.38 g/mol
Exact Mass357.08
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2NO4S/c1-19(11-12-7-9-13(10-8-12)23-16(17)18)24(20,21)15-6-4-3-5-14(15)22-2/h3-10,16H,11H2,1-2H3
InChIKeyTURKJQMKZLYOEO-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 166187697
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide
CID 78786879
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 134059120
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
CID 35683846
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 33457323
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31391415
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide (CID 51169219) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide is COc1ccccc1S(=O)(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is TURKJQMKZLYOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO4S/c1-19(11-12-7-9-13(10-8-12)23-16(17)18)24(20,21)15-6-4-3-5-14(15)22-2/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 357.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 51169219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).