2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride

C8H7ClF3NO3S2 — CID 112676712

IUPAC2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)NCC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H7ClF3NO3S2/c1-4-6(18(9,15)16)2-5(17-4)7(14)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyDOLKBZUWPJKRIY-UHFFFAOYSA-N
MW321.73 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride

2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride (PubChem CID 112676712) has the molecular formula C8H7ClF3NO3S2 and a molecular weight of 321.73 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
PubChem CID112676712
Molecular FormulaC8H7ClF3NO3S2
Molecular Weight321.73 g/mol
Exact Mass320.95
IUPAC Name2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)NCC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H7ClF3NO3S2/c1-4-6(18(9,15)16)2-5(17-4)7(14)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,14)
InChIKeyDOLKBZUWPJKRIY-UHFFFAOYSA-N
XLogP2.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropylethylcarbamoyl)-2-methylthiophene-3-sulfonyl chloride
CID 112676774
2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride
CID 106219395
2-methyl-5-(3-methylsulfonylpropylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994051
2-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 115994049
N-(2,2-dimethylpropyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 112689693
5-[(1-ethylcyclopropyl)methylcarbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 114102246
2-methyl-5-(2-propan-2-yloxyethylcarbamoyl)thiophene-3-sulfonyl chloride
CID 104766618
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
2-methyl-5-[(2-methylcyclopentyl)methylcarbamoyl]thiophene-3-sulfonyl chloride
CID 107421002
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
2-methoxyethyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
CID 112676797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride (CID 112676712) is 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride is Cc1sc(C(=O)NCC(F)(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride?
The InChIKey is DOLKBZUWPJKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO3S2/c1-4-6(18(9,15)16)2-5(17-4)7(14)13-3-8(10,11)12/h2H,3H2,1H3,(H,13,14).
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride?
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride has a molecular weight of 321.73 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)thiophene-3-sulfonyl chloride is sourced from PubChem (CID 112676712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).