2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide

C17H17Cl2F3N2O3S — CID 10226286

IUPAC2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)CCOc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2F3N2O3S/c1-24(2)7-8-27-15-10-12(4-5-13(15)18)23-28(25,26)16-6-3-11(9-14(16)19)17(20,21)22/h3-6,9-10,23H,7-8H2,1-2H3
InChIKeyMTOMMXOKVBBTOQ-UHFFFAOYSA-N
MW457.30 g/mol
LogP4.75
Rot. Bonds7

About 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 10226286) has the molecular formula C17H17Cl2F3N2O3S and a molecular weight of 457.30 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID10226286
Molecular FormulaC17H17Cl2F3N2O3S
Molecular Weight457.30 g/mol
Exact Mass456.03
IUPAC Name2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)CCOc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2F3N2O3S/c1-24(2)7-8-27-15-10-12(4-5-13(15)18)23-28(25,26)16-6-3-11(9-14(16)19)17(20,21)22/h3-6,9-10,23H,7-8H2,1-2H3
InChIKeyMTOMMXOKVBBTOQ-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.30
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 10226286) is 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide is CN(C)CCOc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MTOMMXOKVBBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2F3N2O3S/c1-24(2)7-8-27-15-10-12(4-5-13(15)18)23-28(25,26)16-6-3-11(9-14(16)19)17(20,21)22/h3-6,9-10,23H,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 457.30 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 10226286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).