3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride

C11H8ClF4NO3S — CID 106213462

IUPAC3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
SMILESO=C(NC1(C(F)(F)F)CC1)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H8ClF4NO3S/c12-21(19,20)8-4-6(3-7(13)5-8)9(18)17-10(1-2-10)11(14,15)16/h3-5H,1-2H2,(H,17,18)
InChIKeyHVPCIXUBOSXKEL-UHFFFAOYSA-N
MW345.70 g/mol
LogP2.58
Rot. Bonds3

About 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride

3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride (PubChem CID 106213462) has the molecular formula C11H8ClF4NO3S and a molecular weight of 345.70 g/mol. Its IUPAC name is 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
PubChem CID106213462
Molecular FormulaC11H8ClF4NO3S
Molecular Weight345.70 g/mol
Exact Mass344.98
IUPAC Name3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
SMILESO=C(NC1(C(F)(F)F)CC1)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H8ClF4NO3S/c12-21(19,20)8-4-6(3-7(13)5-8)9(18)17-10(1-2-10)11(14,15)16/h3-5H,1-2H2,(H,17,18)
InChIKeyHVPCIXUBOSXKEL-UHFFFAOYSA-N
XLogP2.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213459
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208285
3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106213729
3-fluoro-5-(3-methylbut-2-enylcarbamoyl)benzenesulfonyl chloride
CID 114155874
3-[(2-ethylcyclopropyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 114107923
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride
CID 106219395
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
3-fluoro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65398193
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
cyclopentyl 3-chlorosulfonyl-5-fluorobenzoate
CID 65398298
N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide
CID 103750188

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride (CID 106213462) is 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride is O=C(NC1(C(F)(F)F)CC1)c1cc(F)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride?
The InChIKey is HVPCIXUBOSXKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4NO3S/c12-21(19,20)8-4-6(3-7(13)5-8)9(18)17-10(1-2-10)11(14,15)16/h3-5H,1-2H2,(H,17,18).
What are the key properties of 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride?
3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride has a molecular weight of 345.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 106213462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).