N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide

C13H13F2NO2S2 — CID 2342115

IUPACN-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C(F)F)S(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C13H13F2NO2S2/c1-9-5-6-11(10(2)8-9)16(13(14)15)20(17,18)12-4-3-7-19-12/h3-8,13H,1-2H3
InChIKeyXOGIQTAMPWITFG-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.78
Rot. Bonds4

About N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide

N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide (PubChem CID 2342115) has the molecular formula C13H13F2NO2S2 and a molecular weight of 317.38 g/mol. Its IUPAC name is N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
PubChem CID2342115
Molecular FormulaC13H13F2NO2S2
Molecular Weight317.38 g/mol
Exact Mass317.04
IUPAC NameN-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(N(C(F)F)S(=O)(=O)c2cccs2)c(C)c1
InChIInChI=1S/C13H13F2NO2S2/c1-9-5-6-11(10(2)8-9)16(13(14)15)20(17,18)12-4-3-7-19-12/h3-8,13H,1-2H3
InChIKeyXOGIQTAMPWITFG-UHFFFAOYSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
ethyl 2-(4-chloro-2-methyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549552
2-(difluoromethylsulfonyl)thiophene
CID 82076235
ethyl 2-(2,4,6-trimethyl-N-thiophen-2-ylsulfonylanilino)acetate
CID 100550650
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide
CID 2438613
N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide
CID 2374178
4-amino-N-(2,4-dimethylphenyl)-N-methylthiophene-2-sulfonamide
CID 62003332
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiophene-2-sulfonamide
CID 107492734

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide (CID 2342115) is N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide is Cc1ccc(N(C(F)F)S(=O)(=O)c2cccs2)c(C)c1.
What is the InChIKey of N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is XOGIQTAMPWITFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2S2/c1-9-5-6-11(10(2)8-9)16(13(14)15)20(17,18)12-4-3-7-19-12/h3-8,13H,1-2H3.
What are the key properties of N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide?
N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 317.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2342115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).