N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide

C13H15FN2O4S3 — CID 113069717

IUPACN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C13H15FN2O4S3/c1-22(17,18)16(12-6-3-2-5-11(12)14)9-8-15-23(19,20)13-7-4-10-21-13/h2-7,10,15H,8-9H2,1H3
InChIKeyIHZSRACZBKKGOT-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.63
Rot. Bonds7

About N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide (PubChem CID 113069717) has the molecular formula C13H15FN2O4S3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
PubChem CID113069717
Molecular FormulaC13H15FN2O4S3
Molecular Weight378.47 g/mol
Exact Mass378.02
IUPAC NameN-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)N(CCNS(=O)(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C13H15FN2O4S3/c1-22(17,18)16(12-6-3-2-5-11(12)14)9-8-15-23(19,20)13-7-4-10-21-13/h2-7,10,15H,8-9H2,1H3
InChIKeyIHZSRACZBKKGOT-UHFFFAOYSA-N
XLogP1.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-fluoro-N-methylsulfonylanilino)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

Related Compounds

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113069714
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069660
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 113068957
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
CID 113066996
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255117
N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058664
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113069707

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide (CID 113069717) is N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide is CS(=O)(=O)N(CCNS(=O)(=O)c1cccs1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
The InChIKey is IHZSRACZBKKGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4S3/c1-22(17,18)16(12-6-3-2-5-11(12)14)9-8-15-23(19,20)13-7-4-10-21-13/h2-7,10,15H,8-9H2,1H3.
What are the key properties of N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide?
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide has a molecular weight of 378.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113069717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).