N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide

C13H18F3NO5S — CID 55512150

IUPACN,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO5S/c1-20-9-7-17(8-10-21-2)23(18,19)12-6-4-3-5-11(12)22-13(14,15)16/h3-6H,7-10H2,1-2H3
InChIKeyCXIOFVBYCPQPLJ-UHFFFAOYSA-N
MW357.35 g/mol
LogP1.87
Rot. Bonds9

About N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide

N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 55512150) has the molecular formula C13H18F3NO5S and a molecular weight of 357.35 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID55512150
Molecular FormulaC13H18F3NO5S
Molecular Weight357.35 g/mol
Exact Mass357.09
IUPAC NameN,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO5S/c1-20-9-7-17(8-10-21-2)23(18,19)12-6-4-3-5-11(12)22-13(14,15)16/h3-6H,7-10H2,1-2H3
InChIKeyCXIOFVBYCPQPLJ-UHFFFAOYSA-N
XLogP1.87
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754224
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
N-[(3R)-3-hydroxybutyl]-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 97019594
2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113468348
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-(furan-3-ylmethyl)-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 90582774
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 66187577
2-[2-methyl-4-[3-[propyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]propylsulfanyl]phenoxy]acetic acid
CID 58713174
sodium 2-(trifluoromethoxy)benzenesulfonate
CID 112705039

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 55512150) is N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide is COCCN(CCOC)S(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CXIOFVBYCPQPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO5S/c1-20-9-7-17(8-10-21-2)23(18,19)12-6-4-3-5-11(12)22-13(14,15)16/h3-6H,7-10H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide?
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 357.35 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 55512150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).