N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide

C15H14F3NO4S — CID 3481772

IUPACN-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO4S/c16-15(17,18)23-13-6-8-14(9-7-13)24(20,21)19-10-11-22-12-4-2-1-3-5-12/h1-9,19H,10-11H2
InChIKeyYGADMUXPVDQVAK-UHFFFAOYSA-N
MW361.34 g/mol
LogP2.94
Rot. Bonds7

About N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3481772) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3481772
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC NameN-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO4S/c16-15(17,18)23-13-6-8-14(9-7-13)24(20,21)19-10-11-22-12-4-2-1-3-5-12/h1-9,19H,10-11H2
InChIKeyYGADMUXPVDQVAK-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-Tetrafluoro-4-phenoxybenzenesulfonamide
CID 71584327
Benzenesulfonamide, 4,4'-oxybis-
CID 82054
Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
4-Phenoxybenzenesulfonamide
CID 838564
N-(2-Phenoxy-acetyl)-benzenesulfonamide
CID 357770
N-cyclopropyl-4-ethoxybenzenesulfonamide
CID 848357
N-ethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 1811202
N,N-diethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919367
N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 5142185
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
Methyl[(4-{4-[(methylamino)sulfonyl]phenoxy}phenyl)sulfonyl]amine
CID 1076679
N-butyl-4-methoxybenzenesulfonamide
CID 2447451

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 3481772) is N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCOc1ccccc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YGADMUXPVDQVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c16-15(17,18)23-13-6-8-14(9-7-13)24(20,21)19-10-11-22-12-4-2-1-3-5-12/h1-9,19H,10-11H2.
What are the key properties of N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3481772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).