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

C18H17Cl2F3N2O4S2 — CID 57378425

IUPAC3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17Cl2F3N2O4S2/c1-25(2)17(26)7-8-30(27)16-6-3-11(19)9-15(16)24-31(28,29)12-4-5-14(20)13(10-12)18(21,22)23/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyFPYBLHMTJOVUOB-UHFFFAOYSA-N
MW517.38 g/mol
LogP4.40
Rot. Bonds7

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

3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide (PubChem CID 57378425) has the molecular formula C18H17Cl2F3N2O4S2 and a molecular weight of 517.38 g/mol. Its IUPAC name is 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide
PubChem CID57378425
Molecular FormulaC18H17Cl2F3N2O4S2
Molecular Weight517.38 g/mol
Exact Mass516.00
IUPAC Name3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H17Cl2F3N2O4S2/c1-25(2)17(26)7-8-30(27)16-6-3-11(19)9-15(16)24-31(28,29)12-4-5-14(20)13(10-12)18(21,22)23/h3-6,9-10,24H,7-8H2,1-2H3
InChIKeyFPYBLHMTJOVUOB-UHFFFAOYSA-N
XLogP4.40
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide (CID 57378425) is 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide is CN(C)C(=O)CCS(=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]sulfinyl-N,N-dimethylpropanamide?
The InChIKey is FPYBLHMTJOVUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N2O4S2/c1-25(2)17(26)7-8-30(27)16-6-3-11(19)9-15(16)24-31(28,29)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]sulfinyl-N,N-dimethylpropanamide?
3-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide has a molecular weight of 517.38 g/mol, XLogP of 4.40, 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]sulfinyl-N,N-dimethylpropanamide is sourced from PubChem (CID 57378425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).