2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide

C17H17ClF3NO4S — CID 30366267

IUPAC2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C17H17ClF3NO4S/c1-2-25-13-4-6-14(7-5-13)26-10-9-22-27(23,24)16-11-12(17(19,20)21)3-8-15(16)18/h3-8,11,22H,2,9-10H2,1H3
InChIKeyOTQYUOGUAJGPEC-UHFFFAOYSA-N
MW423.84 g/mol
LogP4.11
Rot. Bonds8

About 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 30366267) has the molecular formula C17H17ClF3NO4S and a molecular weight of 423.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID30366267
Molecular FormulaC17H17ClF3NO4S
Molecular Weight423.84 g/mol
Exact Mass423.05
IUPAC Name2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ccc(OCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C17H17ClF3NO4S/c1-2-25-13-4-6-14(7-5-13)26-10-9-22-27(23,24)16-11-12(17(19,20)21)3-8-15(16)18/h3-8,11,22H,2,9-10H2,1H3
InChIKeyOTQYUOGUAJGPEC-UHFFFAOYSA-N
XLogP4.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 54.11
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-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 86989290
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366154
2-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 60530864
N-[2-(4-ethoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 30366264
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 4984455
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55353351
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 64557595
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide (CID 30366267) is 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide is CCOc1ccc(OCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OTQYUOGUAJGPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NO4S/c1-2-25-13-4-6-14(7-5-13)26-10-9-22-27(23,24)16-11-12(17(19,20)21)3-8-15(16)18/h3-8,11,22H,2,9-10H2,1H3.
What are the key properties of 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 423.84 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 30366267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).