N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide

C12H12FNO2S2 — CID 91969488

IUPACN-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)s2)c(C)c1
InChIInChI=1S/C12H12FNO2S2/c1-8-3-4-10(9(2)7-8)14-18(15,16)12-6-5-11(13)17-12/h3-7,14H,1-2H3
InChIKeyFBAYNXRAFIMTNM-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.30
Rot. Bonds3

About N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide

N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide (PubChem CID 91969488) has the molecular formula C12H12FNO2S2 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide
PubChem CID91969488
Molecular FormulaC12H12FNO2S2
Molecular Weight285.37 g/mol
Exact Mass285.03
IUPAC NameN-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)s2)c(C)c1
InChIInChI=1S/C12H12FNO2S2/c1-8-3-4-10(9(2)7-8)14-18(15,16)12-6-5-11(13)17-12/h3-7,14H,1-2H3
InChIKeyFBAYNXRAFIMTNM-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
N-(2-fluoro-4-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106031041
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
N-(2-amino-4-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43259125
N-(2-ethyl-6-methylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969496
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide (CID 91969488) is N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)s2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide?
The InChIKey is FBAYNXRAFIMTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S2/c1-8-3-4-10(9(2)7-8)14-18(15,16)12-6-5-11(13)17-12/h3-7,14H,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide?
N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 91969488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).