2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide

C16H12Cl2F3NO3S — CID 1489673

IUPAC2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl
InChIInChI=1S/C16H12Cl2F3NO3S/c1-2-26(24,25)12-8-7-11(13(17)14(12)18)15(23)22-10-5-3-9(4-6-10)16(19,20)21/h3-8H,2H2,1H3,(H,22,23)
InChIKeyHFMFPBBDXVCIFZ-UHFFFAOYSA-N
MW426.24 g/mol
LogP5.06
Rot. Bonds4

About 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide

2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 1489673) has the molecular formula C16H12Cl2F3NO3S and a molecular weight of 426.24 g/mol. Its IUPAC name is 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID1489673
Molecular FormulaC16H12Cl2F3NO3S
Molecular Weight426.24 g/mol
Exact Mass424.99
IUPAC Name2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl
InChIInChI=1S/C16H12Cl2F3NO3S/c1-2-26(24,25)12-8-7-11(13(17)14(12)18)15(23)22-10-5-3-9(4-6-10)16(19,20)21/h3-8H,2H2,1H3,(H,22,23)
InChIKeyHFMFPBBDXVCIFZ-UHFFFAOYSA-N
XLogP5.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.24
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
4-chloro-2-diethoxyphosphinothioyloxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 102358374
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
3-acetyl-4-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 147118620
3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4638465
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495
N-[4-(trifluoromethyl)phenyl]butanethioamide
CID 164672673
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 1489673) is 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HFMFPBBDXVCIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO3S/c1-2-26(24,25)12-8-7-11(13(17)14(12)18)15(23)22-10-5-3-9(4-6-10)16(19,20)21/h3-8H,2H2,1H3,(H,22,23).
What are the key properties of 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide?
2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 426.24 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 1489673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).