2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride

C9H9ClF3NO3S2 — CID 112676735

IUPAC2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)N(C)CC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClF3NO3S2/c1-5-7(19(10,16)17)3-6(18-5)8(15)14(2)4-9(11,12)13/h3H,4H2,1-2H3
InChIKeyYCXQRAUDAVNBAP-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.62
Rot. Bonds3

About 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride

2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride (PubChem CID 112676735) has the molecular formula C9H9ClF3NO3S2 and a molecular weight of 335.76 g/mol. Its IUPAC name is 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride
PubChem CID112676735
Molecular FormulaC9H9ClF3NO3S2
Molecular Weight335.76 g/mol
Exact Mass334.97
IUPAC Name2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride
SMILESCc1sc(C(=O)N(C)CC(F)(F)F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H9ClF3NO3S2/c1-5-7(19(10,16)17)3-6(18-5)8(15)14(2)4-9(11,12)13/h3H,4H2,1-2H3
InChIKeyYCXQRAUDAVNBAP-UHFFFAOYSA-N
XLogP2.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride (CID 112676735) is 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride is Cc1sc(C(=O)N(C)CC(F)(F)F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride?
The InChIKey is YCXQRAUDAVNBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO3S2/c1-5-7(19(10,16)17)3-6(18-5)8(15)14(2)4-9(11,12)13/h3H,4H2,1-2H3.
What are the key properties of 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride?
2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride has a molecular weight of 335.76 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]thiophene-3-sulfonyl chloride is sourced from PubChem (CID 112676735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).