N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide

C12H11F2NO2S2 — CID 110789033

IUPACN-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C12H11F2NO2S2/c13-10-4-3-9(11(14)8-10)5-6-15-19(16,17)12-2-1-7-18-12/h1-4,7-8,15H,5-6H2
InChIKeyMZNHNJBAOARSND-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide

N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 110789033) has the molecular formula C12H11F2NO2S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID110789033
Molecular FormulaC12H11F2NO2S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C12H11F2NO2S2/c13-10-4-3-9(11(14)8-10)5-6-15-19(16,17)12-2-1-7-18-12/h1-4,7-8,15H,5-6H2
InChIKeyMZNHNJBAOARSND-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
N-[2-(2-cyano-4-fluoroanilino)ethyl]thiophene-2-sulfonamide
CID 133397458
1-[2-(dimethylsulfamoylamino)ethyl]-2,4-difluorobenzene
CID 110789026
N-[2-(6-chloro-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113083889
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide (CID 110789033) is N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1ccc(F)cc1F)c1cccs1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MZNHNJBAOARSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S2/c13-10-4-3-9(11(14)8-10)5-6-15-19(16,17)12-2-1-7-18-12/h1-4,7-8,15H,5-6H2.
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide?
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 303.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110789033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).