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

C17H17Cl2FN2O4S2 — CID 67972409

IUPAC3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H17Cl2FN2O4S2/c1-22(2)17(23)7-8-27(24)15-5-3-12(19)10-14(15)21-28(25,26)16-6-4-11(18)9-13(16)20/h3-6,9-10,21H,7-8H2,1-2H3
InChIKeyPEZLKYFBVUZIJM-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.52
Rot. Bonds7

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

3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide (PubChem CID 67972409) has the molecular formula C17H17Cl2FN2O4S2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide
PubChem CID67972409
Molecular FormulaC17H17Cl2FN2O4S2
Molecular Weight467.37 g/mol
Exact Mass466.00
IUPAC Name3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H17Cl2FN2O4S2/c1-22(2)17(23)7-8-27(24)15-5-3-12(19)10-14(15)21-28(25,26)16-6-4-11(18)9-13(16)20/h3-6,9-10,21H,7-8H2,1-2H3
InChIKeyPEZLKYFBVUZIJM-UHFFFAOYSA-N
XLogP3.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
CID 67972115
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
N-(5-chloro-2-methylsulfinylphenyl)-2,4-difluorobenzenesulfonamide
CID 57378877
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81181799
4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide (CID 67972409) is 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide is CN(C)C(=O)CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide?
The InChIKey is PEZLKYFBVUZIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O4S2/c1-22(2)17(23)7-8-27(24)15-5-3-12(19)10-14(15)21-28(25,26)16-6-4-11(18)9-13(16)20/h3-6,9-10,21H,7-8H2,1-2H3.
What are the key properties of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide?
3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide has a molecular weight of 467.37 g/mol, XLogP of 3.52, 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-2-fluorophenyl)sulfonylamino]phenyl]sulfinyl-N,N-dimethylpropanamide is sourced from PubChem (CID 67972409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).