2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride

C10H9ClF3NO3S — CID 43523684

IUPAC2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H9ClF3NO3S/c1-6-2-3-7(4-8(6)19(11,17)18)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeySHYUURBIFUIQAS-UHFFFAOYSA-N
MW315.70 g/mol
LogP2.21
Rot. Bonds3

About 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride

2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 43523684) has the molecular formula C10H9ClF3NO3S and a molecular weight of 315.70 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
PubChem CID43523684
Molecular FormulaC10H9ClF3NO3S
Molecular Weight315.70 g/mol
Exact Mass314.99
IUPAC Name2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H9ClF3NO3S/c1-6-2-3-7(4-8(6)19(11,17)18)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeySHYUURBIFUIQAS-UHFFFAOYSA-N
XLogP2.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295733
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 114944525
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
4-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 18105512
4-chloro-3-(methanesulfonamido)-N-(2,2,2-trifluoroethyl)benzamide
CID 49019461
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676712
2-chloro-5-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115522582
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727
4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 29043972
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride (CID 43523684) is 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride is Cc1ccc(C(=O)NCC(F)(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is SHYUURBIFUIQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3S/c1-6-2-3-7(4-8(6)19(11,17)18)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride?
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 315.70 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 43523684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).