3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide

C16H12Cl3F3N2O3S — CID 4843823

IUPAC3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl3F3N2O3S/c17-9-1-3-13(19)14(7-9)24-15(25)5-6-23-28(26,27)10-2-4-12(18)11(8-10)16(20,21)22/h1-4,7-8,23H,5-6H2,(H,24,25)
InChIKeyUSYSTSIMNMLJBF-UHFFFAOYSA-N
MW475.70 g/mol
LogP4.97
Rot. Bonds6

About 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 4843823) has the molecular formula C16H12Cl3F3N2O3S and a molecular weight of 475.70 g/mol. Its IUPAC name is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
PubChem CID4843823
Molecular FormulaC16H12Cl3F3N2O3S
Molecular Weight475.70 g/mol
Exact Mass473.96
IUPAC Name3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl3F3N2O3S/c17-9-1-3-13(19)14(7-9)24-15(25)5-6-23-28(26,27)10-2-4-12(18)11(8-10)16(20,21)22/h1-4,7-8,23H,5-6H2,(H,24,25)
InChIKeyUSYSTSIMNMLJBF-UHFFFAOYSA-N
XLogP4.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.70
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 24639635
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800761
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 112842777
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 51147527
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 4857704
4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 27661736
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806518
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-hydroxy-2-phenylethyl)propanamide
CID 55457674
3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 112790595
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide (CID 4843823) is 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is USYSTSIMNMLJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3F3N2O3S/c17-9-1-3-13(19)14(7-9)24-15(25)5-6-23-28(26,27)10-2-4-12(18)11(8-10)16(20,21)22/h1-4,7-8,23H,5-6H2,(H,24,25).
What are the key properties of 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide?
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 475.70 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 4843823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).