2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H20Cl3F3N2O4S — CID 10230439

IUPAC2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCN(CC)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(OC(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C19H20Cl3F3N2O4S/c1-3-27(4-2)7-8-30-17-9-12(5-6-14(17)20)26-32(28,29)18-15(21)10-13(11-16(18)22)31-19(23,24)25/h5-6,9-11,26H,3-4,7-8H2,1-2H3
InChIKeyYSXHWGOLJPRPDF-UHFFFAOYSA-N
MW535.80 g/mol
LogP6.07
Rot. Bonds10

About 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide

2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 10230439) has the molecular formula C19H20Cl3F3N2O4S and a molecular weight of 535.80 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID10230439
Molecular FormulaC19H20Cl3F3N2O4S
Molecular Weight535.80 g/mol
Exact Mass534.02
IUPAC Name2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCN(CC)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(OC(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C19H20Cl3F3N2O4S/c1-3-27(4-2)7-8-30-17-9-12(5-6-14(17)20)26-32(28,29)18-15(21)10-13(11-16(18)22)31-19(23,24)25/h5-6,9-11,26H,3-4,7-8H2,1-2H3
InChIKeyYSXHWGOLJPRPDF-UHFFFAOYSA-N
XLogP6.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.80
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 10230439) is 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide is CCN(CC)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(OC(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YSXHWGOLJPRPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3F3N2O4S/c1-3-27(4-2)7-8-30-17-9-12(5-6-14(17)20)26-32(28,29)18-15(21)10-13(11-16(18)22)31-19(23,24)25/h5-6,9-11,26H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 535.80 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-chloro-3-[2-(diethylamino)ethoxy]phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 10230439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).