3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide

C16H12Cl2F3NO3S — CID 26821529

IUPAC3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NO3S/c17-11-4-5-13(18)14(9-11)26(24,25)7-6-15(23)22-12-3-1-2-10(8-12)16(19,20)21/h1-5,8-9H,6-7H2,(H,22,23)
InChIKeyMSNVVXVREKYSKI-UHFFFAOYSA-N
MW426.24 g/mol
LogP4.81
Rot. Bonds5

About 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide

3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 26821529) has the molecular formula C16H12Cl2F3NO3S and a molecular weight of 426.24 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID26821529
Molecular FormulaC16H12Cl2F3NO3S
Molecular Weight426.24 g/mol
Exact Mass424.99
IUPAC Name3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12Cl2F3NO3S/c17-11-4-5-13(18)14(9-11)26(24,25)7-6-15(23)22-12-3-1-2-10(8-12)16(19,20)21/h1-5,8-9H,6-7H2,(H,22,23)
InChIKeyMSNVVXVREKYSKI-UHFFFAOYSA-N
XLogP4.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.24
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichlorophenyl)sulfonyl-N-(3-methylphenyl)propanamide
CID 126223702
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4286052
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 21366977
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 1303925
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
3-(4-methylpiperazin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110343225

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 26821529) is 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MSNVVXVREKYSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO3S/c17-11-4-5-13(18)14(9-11)26(24,25)7-6-15(23)22-12-3-1-2-10(8-12)16(19,20)21/h1-5,8-9H,6-7H2,(H,22,23).
What are the key properties of 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 426.24 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26821529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).