N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide

C12H16F3NO4S — CID 115754224

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOCCN(CCO)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO4S/c1-20-9-7-16(6-8-17)21(18,19)11-5-3-2-4-10(11)12(13,14)15/h2-5,17H,6-9H2,1H3
InChIKeyQQDUDGDQJPKONS-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.33
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 115754224) has the molecular formula C12H16F3NO4S and a molecular weight of 327.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID115754224
Molecular FormulaC12H16F3NO4S
Molecular Weight327.32 g/mol
Exact Mass327.08
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOCCN(CCO)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO4S/c1-20-9-7-16(6-8-17)21(18,19)11-5-3-2-4-10(11)12(13,14)15/h2-5,17H,6-9H2,1H3
InChIKeyQQDUDGDQJPKONS-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide
CID 115622116
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 60539885
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
N-(2-bromoethyl)-N-butyl-2-(trifluoromethyl)benzenesulfonamide
CID 80669345
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113317285
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78787053
2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113468348
2,5-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-3-sulfonamide
CID 113317287
ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55663353

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 115754224) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide is COCCN(CCO)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QQDUDGDQJPKONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO4S/c1-20-9-7-16(6-8-17)21(18,19)11-5-3-2-4-10(11)12(13,14)15/h2-5,17H,6-9H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 327.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 115754224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).