3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C18H20F3NO4S — CID 47009155

IUPAC3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1OCC
InChIInChI=1S/C18H20F3NO4S/c1-3-25-16-9-8-15(11-17(16)26-4-2)27(23,24)22-12-13-6-5-7-14(10-13)18(19,20)21/h5-11,22H,3-4,12H2,1-2H3
InChIKeyODYXRJOGEFDESO-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.98
Rot. Bonds8

About 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 47009155) has the molecular formula C18H20F3NO4S and a molecular weight of 403.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID47009155
Molecular FormulaC18H20F3NO4S
Molecular Weight403.42 g/mol
Exact Mass403.11
IUPAC Name3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1OCC
InChIInChI=1S/C18H20F3NO4S/c1-3-25-16-9-8-15(11-17(16)26-4-2)27(23,24)22-12-13-6-5-7-14(10-13)18(19,20)21/h5-11,22H,3-4,12H2,1-2H3
InChIKeyODYXRJOGEFDESO-UHFFFAOYSA-N
XLogP3.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55337425
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 47009155) is 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ODYXRJOGEFDESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO4S/c1-3-25-16-9-8-15(11-17(16)26-4-2)27(23,24)22-12-13-6-5-7-14(10-13)18(19,20)21/h5-11,22H,3-4,12H2,1-2H3.
What are the key properties of 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 403.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 47009155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).