5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C7H9F3N2O2S2 — CID 43155720

IUPAC5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2O2S2/c8-7(9,10)4-12-16(13,14)6-2-1-5(3-11)15-6/h1-2,12H,3-4,11H2
InChIKeyHZNXCVPUCSGJAG-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.05
Rot. Bonds4

About 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 43155720) has the molecular formula C7H9F3N2O2S2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID43155720
Molecular FormulaC7H9F3N2O2S2
Molecular Weight274.29 g/mol
Exact Mass274.01
IUPAC Name5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2O2S2/c8-7(9,10)4-12-16(13,14)6-2-1-5(3-11)15-6/h1-2,12H,3-4,11H2
InChIKeyHZNXCVPUCSGJAG-UHFFFAOYSA-N
XLogP1.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 43155720) is 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)NCC(F)(F)F)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is HZNXCVPUCSGJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S2/c8-7(9,10)4-12-16(13,14)6-2-1-5(3-11)15-6/h1-2,12H,3-4,11H2.
What are the key properties of 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 274.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43155720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).