3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide

C18H17Cl2F3N2O3S2 — CID 57378423

IUPAC3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17Cl2F3N2O3S2/c1-25(2)17(26)7-8-29-16-6-3-11(19)9-15(16)24-30(27,28)12-4-5-14(20)13(10-12)18(21,22)23/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyHVGVGIXEWVAOOF-UHFFFAOYSA-N
MW501.38 g/mol
LogP5.38
Rot. Bonds7

About 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide

3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide (PubChem CID 57378423) has the molecular formula C18H17Cl2F3N2O3S2 and a molecular weight of 501.38 g/mol. Its IUPAC name is 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide
PubChem CID57378423
Molecular FormulaC18H17Cl2F3N2O3S2
Molecular Weight501.38 g/mol
Exact Mass500.00
IUPAC Name3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17Cl2F3N2O3S2/c1-25(2)17(26)7-8-29-16-6-3-11(19)9-15(16)24-30(27,28)12-4-5-14(20)13(10-12)18(21,22)23/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyHVGVGIXEWVAOOF-UHFFFAOYSA-N
XLogP5.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.38
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide with MolForge

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Related Compounds

US9663460, Example 1
CID 57378320
US9663460, Example 2
CID 57378321
4-chloro-N-[5-chloro-2-(methylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378322
4-chloro-N-[5-chloro-2-(isopropylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378323
US9663460, Example 18
CID 57378424
US9663460, Example 17
CID 57378425
4-chloro-N-[5-chloro-2-(ethylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378525
US9663460, Example 27
CID 57378527
US9663460, Example 28
CID 57378528
US9663460, Example 41
CID 57378761
US9663460, Example 42
CID 57378762
US9663460, Example 43
CID 57378763

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide (CID 57378423) is 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide is CN(C)C(=O)CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide?
The InChIKey is HVGVGIXEWVAOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N2O3S2/c1-25(2)17(26)7-8-29-16-6-3-11(19)9-15(16)24-30(27,28)12-4-5-14(20)13(10-12)18(21,22)23/h3-6,9-10,24H,7-8H2,1-2H3.
What are the key properties of 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide?
3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide has a molecular weight of 501.38 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 57378423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).