3-chloro-4-(trifluoromethylsulfonyl)benzamide

C8H5ClF3NO3S — CID 57432721

IUPAC3-chloro-4-(trifluoromethylsulfonyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H5ClF3NO3S/c9-5-3-4(7(13)14)1-2-6(5)17(15,16)8(10,11)12/h1-3H,(H2,13,14)
InChIKeyZVXSZVCSYYFCFR-UHFFFAOYSA-N
MW287.65 g/mol
LogP1.73
Rot. Bonds2

About 3-chloro-4-(trifluoromethylsulfonyl)benzamide

3-chloro-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 57432721) has the molecular formula C8H5ClF3NO3S and a molecular weight of 287.65 g/mol. Its IUPAC name is 3-chloro-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(trifluoromethylsulfonyl)benzamide
PubChem CID57432721
Molecular FormulaC8H5ClF3NO3S
Molecular Weight287.65 g/mol
Exact Mass286.96
IUPAC Name3-chloro-4-(trifluoromethylsulfonyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H5ClF3NO3S/c9-5-3-4(7(13)14)1-2-6(5)17(15,16)8(10,11)12/h1-3H,(H2,13,14)
InChIKeyZVXSZVCSYYFCFR-UHFFFAOYSA-N
XLogP1.73
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.65
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-iodobenzamide
CID 94675118
3-chloro-4-sulfamoylbenzoic acid
CID 47003139
3-chloro-4-naphthalen-2-ylsulfonylbenzamide
CID 22148850
3-chloro-4-hydroxybenzamide
CID 22932347
4-chloro-3-(sulfamoylamino)benzamide
CID 112573335
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
3-chloro-4-methylbenzamide;ethane
CID 162191867
5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368033
4-carbamoyl-2-methylbenzenesulfonyl chloride
CID 15922007
2-(trifluoromethylsulfonyl)benzamide
CID 91145939
3-amino-4-(trifluoromethyl)benzamide
CID 70566293
1-chloro-2,4-bis(trifluoromethylsulfonyl)benzene
CID 3496072

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 3-chloro-4-(trifluoromethylsulfonyl)benzamide (CID 57432721) is 3-chloro-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 3-chloro-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 3-chloro-4-(trifluoromethylsulfonyl)benzamide is NC(=O)c1ccc(S(=O)(=O)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is ZVXSZVCSYYFCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO3S/c9-5-3-4(7(13)14)1-2-6(5)17(15,16)8(10,11)12/h1-3H,(H2,13,14).
What are the key properties of 3-chloro-4-(trifluoromethylsulfonyl)benzamide?
3-chloro-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 287.65 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 57432721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).