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

C18H17Cl2F3N2O5S2 — CID 67972755

IUPAC3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17Cl2F3N2O5S2/c1-25(2)17(26)7-8-31(27,28)16-6-3-11(19)9-15(16)24-32(29,30)12-4-5-14(20)13(10-12)18(21,22)23/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyRHRRQKALKMPGDR-UHFFFAOYSA-N
MW533.38 g/mol
LogP4.07
Rot. Bonds7

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

3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide (PubChem CID 67972755) has the molecular formula C18H17Cl2F3N2O5S2 and a molecular weight of 533.38 g/mol. Its IUPAC name is 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
PubChem CID67972755
Molecular FormulaC18H17Cl2F3N2O5S2
Molecular Weight533.38 g/mol
Exact Mass531.99
IUPAC Name3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17Cl2F3N2O5S2/c1-25(2)17(26)7-8-31(27,28)16-6-3-11(19)9-15(16)24-32(29,30)12-4-5-14(20)13(10-12)18(21,22)23/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyRHRRQKALKMPGDR-UHFFFAOYSA-N
XLogP4.07
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-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 15
CID 57378423
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide (CID 67972755) is 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide is CN(C)C(=O)CCS(=O)(=O)c1ccc(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]sulfonyl-N,N-dimethylpropanamide?
The InChIKey is RHRRQKALKMPGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N2O5S2/c1-25(2)17(26)7-8-31(27,28)16-6-3-11(19)9-15(16)24-32(29,30)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]sulfonyl-N,N-dimethylpropanamide?
3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide has a molecular weight of 533.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide is sourced from PubChem (CID 67972755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).