5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide

C21H17ClF3NO5S — CID 3670999

IUPAC5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H17ClF3NO5S/c1-29-17-5-3-4-6-18(17)31-16-9-7-13(21(23,24)25)11-15(16)26-32(27,28)20-12-14(22)8-10-19(20)30-2/h3-12,26H,1-2H3
InChIKeyDORRGYXRXOWGKK-UHFFFAOYSA-N
MW487.88 g/mol
LogP5.97
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3670999) has the molecular formula C21H17ClF3NO5S and a molecular weight of 487.88 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3670999
Molecular FormulaC21H17ClF3NO5S
Molecular Weight487.88 g/mol
Exact Mass487.05
IUPAC Name5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H17ClF3NO5S/c1-29-17-5-3-4-6-18(17)31-16-9-7-13(21(23,24)25)11-15(16)26-32(27,28)20-12-14(22)8-10-19(20)30-2/h3-12,26H,1-2H3
InChIKeyDORRGYXRXOWGKK-UHFFFAOYSA-N
XLogP5.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.88
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide
CID 3847210
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
N-(5-tert-butyl-2-methoxyphenyl)-4-chloro-2-fluorobenzenesulfonamide
CID 2454498
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
4-chloro-N-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2797539
3-[[2-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 166018852
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26983087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3670999) is 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is DORRGYXRXOWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3NO5S/c1-29-17-5-3-4-6-18(17)31-16-9-7-13(21(23,24)25)11-15(16)26-32(27,28)20-12-14(22)8-10-19(20)30-2/h3-12,26H,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 487.88 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3670999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).