3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride

C9H9ClF3NO3S2 — CID 79807759

IUPAC3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)NCCC(F)(F)F)csc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClF3NO3S2/c1-5-6(4-18-8(5)19(10,16)17)7(15)14-3-2-9(11,12)13/h4H,2-3H2,1H3,(H,14,15)
InChIKeyRFRYQXKQUSOWDH-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.67
Rot. Bonds4

About 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride

3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride (PubChem CID 79807759) has the molecular formula C9H9ClF3NO3S2 and a molecular weight of 335.76 g/mol. Its IUPAC name is 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride
PubChem CID79807759
Molecular FormulaC9H9ClF3NO3S2
Molecular Weight335.76 g/mol
Exact Mass334.97
IUPAC Name3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride
SMILESCc1c(C(=O)NCCC(F)(F)F)csc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClF3NO3S2/c1-5-6(4-18-8(5)19(10,16)17)7(15)14-3-2-9(11,12)13/h4H,2-3H2,1H3,(H,14,15)
InChIKeyRFRYQXKQUSOWDH-UHFFFAOYSA-N
XLogP2.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79807441
5-fluoro-2-methyl-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398199
4-carbamoyl-3-methylthiophene-2-sulfonyl chloride
CID 79807645
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807541
3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79808381
3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79808782
4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
CID 79808812
4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65397043
2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 106206949
4-bromo-2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398773
2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 63228100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride (CID 79807759) is 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride is Cc1c(C(=O)NCCC(F)(F)F)csc1S(=O)(=O)Cl.
What is the InChIKey of 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride?
The InChIKey is RFRYQXKQUSOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3S2/c1-5-6(4-18-8(5)19(10,16)17)7(15)14-3-2-9(11,12)13/h4H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride?
3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride has a molecular weight of 335.76 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 79807759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).