2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide

C17H17ClF3NO4S — CID 55353351

IUPAC2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1OC
InChIInChI=1S/C17H17ClF3NO4S/c1-25-14-6-3-11(9-15(14)26-2)7-8-22-27(23,24)16-10-12(17(19,20)21)4-5-13(16)18/h3-6,9-10,22H,7-8H2,1-2H3
InChIKeyUCMCISOQHGMAMR-UHFFFAOYSA-N
MW423.84 g/mol
LogP3.90
Rot. Bonds7

About 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 55353351) has the molecular formula C17H17ClF3NO4S and a molecular weight of 423.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID55353351
Molecular FormulaC17H17ClF3NO4S
Molecular Weight423.84 g/mol
Exact Mass423.05
IUPAC Name2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1OC
InChIInChI=1S/C17H17ClF3NO4S/c1-25-14-6-3-11(9-15(14)26-2)7-8-22-27(23,24)16-10-12(17(19,20)21)4-5-13(16)18/h3-6,9-10,22H,7-8H2,1-2H3
InChIKeyUCMCISOQHGMAMR-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 86989290
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3763853
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 3746979
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 30366267
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 91758594
tert-butyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 4984455
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126204978
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide (CID 55353351) is 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UCMCISOQHGMAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NO4S/c1-25-14-6-3-11(9-15(14)26-2)7-8-22-27(23,24)16-10-12(17(19,20)21)4-5-13(16)18/h3-6,9-10,22H,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 423.84 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55353351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).