N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

C17H17F3N2O4S — CID 49202160

IUPACN-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-26-11-10-16(23)21-14-8-4-5-9-15(14)22-27(24,25)13-6-2-1-3-7-13/h1-9,22H,10-12H2,(H,21,23)
InChIKeyHURJWOAGLIEJIB-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 49202160) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID49202160
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)Nc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-26-11-10-16(23)21-14-8-4-5-9-15(14)22-27(24,25)13-6-2-1-3-7-13/h1-9,22H,10-12H2,(H,21,23)
InChIKeyHURJWOAGLIEJIB-UHFFFAOYSA-N
XLogP3.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylaminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805508
N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208640
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
7-amino-N-[2-(benzenesulfonamido)phenyl]heptanamide;hydrochloride
CID 119753331
2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
CID 103213870
N-(2-amino-4,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205646
2-[3-[3-(2,2,2-trifluoroethoxy)propanoylamino]phenyl]acetic acid
CID 65346637
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71942657
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 49202160) is N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)Nc1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is HURJWOAGLIEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)12-26-11-10-16(23)21-14-8-4-5-9-15(14)22-27(24,25)13-6-2-1-3-7-13/h1-9,22H,10-12H2,(H,21,23).
What are the key properties of N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 402.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 49202160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).