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

C17H17Cl2FN2O5S2 — CID 67972115

IUPAC3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H17Cl2FN2O5S2/c1-22(2)17(23)7-8-28(24,25)16-6-4-12(19)10-14(16)21-29(26,27)15-5-3-11(18)9-13(15)20/h3-6,9-10,21H,7-8H2,1-2H3
InChIKeySSESRNODROLZSV-UHFFFAOYSA-N
MW483.37 g/mol
LogP3.19
Rot. Bonds7

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

3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide (PubChem CID 67972115) has the molecular formula C17H17Cl2FN2O5S2 and a molecular weight of 483.37 g/mol. Its IUPAC name is 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
PubChem CID67972115
Molecular FormulaC17H17Cl2FN2O5S2
Molecular Weight483.37 g/mol
Exact Mass481.99
IUPAC Name3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C17H17Cl2FN2O5S2/c1-22(2)17(23)7-8-28(24,25)16-6-4-12(19)10-14(16)21-29(26,27)15-5-3-11(18)9-13(15)20/h3-6,9-10,21H,7-8H2,1-2H3
InChIKeySSESRNODROLZSV-UHFFFAOYSA-N
XLogP3.19
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide (CID 67972115) is 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide is CN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide?
The InChIKey is SSESRNODROLZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O5S2/c1-22(2)17(23)7-8-28(24,25)16-6-4-12(19)10-14(16)21-29(26,27)15-5-3-11(18)9-13(15)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]sulfonyl-N,N-dimethylpropanamide?
3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide has a molecular weight of 483.37 g/mol, XLogP of 3.19, 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-2-fluorophenyl)sulfonylamino]phenyl]sulfonyl-N,N-dimethylpropanamide is sourced from PubChem (CID 67972115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).