2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride

C10H9ClF3NO3S2 — CID 106219395

IUPAC2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)NC2(C(F)(F)F)CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H9ClF3NO3S2/c1-5-7(20(11,17)18)4-6(19-5)8(16)15-9(2-3-9)10(12,13)14/h4H,2-3H2,1H3,(H,15,16)
InChIKeyBNUPPJHUNASKCN-UHFFFAOYSA-N
MW347.77 g/mol
LogP2.81
Rot. Bonds3

About 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride

2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride (PubChem CID 106219395) has the molecular formula C10H9ClF3NO3S2 and a molecular weight of 347.77 g/mol. Its IUPAC name is 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride
PubChem CID106219395
Molecular FormulaC10H9ClF3NO3S2
Molecular Weight347.77 g/mol
Exact Mass346.97
IUPAC Name2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)NC2(C(F)(F)F)CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H9ClF3NO3S2/c1-5-7(20(11,17)18)4-6(19-5)8(16)15-9(2-3-9)10(12,13)14/h4H,2-3H2,1H3,(H,15,16)
InChIKeyBNUPPJHUNASKCN-UHFFFAOYSA-N
XLogP2.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride (CID 106219395) is 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride is Cc1sc(C(=O)NC2(C(F)(F)F)CC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride?
The InChIKey is BNUPPJHUNASKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3S2/c1-5-7(20(11,17)18)4-6(19-5)8(16)15-9(2-3-9)10(12,13)14/h4H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride?
2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride has a molecular weight of 347.77 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]thiophene-3-sulfonyl chloride is sourced from PubChem (CID 106219395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).