5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide

C9H14F2N2O3S2 — CID 114128427

IUPAC5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCOCC(F)F)s1
InChIInChI=1S/C9H14F2N2O3S2/c10-8(11)6-16-4-3-13-18(14,15)9-2-1-7(5-12)17-9/h1-2,8,13H,3-6,12H2
InChIKeyJRAXALPOZHFDPO-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.77
Rot. Bonds8

About 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide

5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 114128427) has the molecular formula C9H14F2N2O3S2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide
PubChem CID114128427
Molecular FormulaC9H14F2N2O3S2
Molecular Weight300.35 g/mol
Exact Mass300.04
IUPAC Name5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCOCC(F)F)s1
InChIInChI=1S/C9H14F2N2O3S2/c10-8(11)6-16-4-3-13-18(14,15)9-2-1-7(5-12)17-9/h1-2,8,13H,3-6,12H2
InChIKeyJRAXALPOZHFDPO-UHFFFAOYSA-N
XLogP0.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide 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 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide (CID 114128427) is 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)NCCOCC(F)F)s1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is JRAXALPOZHFDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3S2/c10-8(11)6-16-4-3-13-18(14,15)9-2-1-7(5-12)17-9/h1-2,8,13H,3-6,12H2.
What are the key properties of 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide?
5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 300.35 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114128427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).