5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide

C12H12FNO2S2 — CID 47309123

IUPAC5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(F)c2)s1
InChIInChI=1S/C12H12FNO2S2/c1-2-11-6-7-12(17-11)18(15,16)14-10-5-3-4-9(13)8-10/h3-8,14H,2H2,1H3
InChIKeyBLHGHVKREBCRSZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.25
Rot. Bonds4

About 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide

5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 47309123) has the molecular formula C12H12FNO2S2 and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
PubChem CID47309123
Molecular FormulaC12H12FNO2S2
Molecular Weight285.37 g/mol
Exact Mass285.03
IUPAC Name5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc(F)c2)s1
InChIInChI=1S/C12H12FNO2S2/c1-2-11-6-7-12(17-11)18(15,16)14-10-5-3-4-9(13)8-10/h3-8,14H,2H2,1H3
InChIKeyBLHGHVKREBCRSZ-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 61454557
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
N-[3-(1,3-dithiolan-2-yl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 71890365
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
CID 112990004
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide (CID 47309123) is 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc(F)c2)s1.
What is the InChIKey of 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is BLHGHVKREBCRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S2/c1-2-11-6-7-12(17-11)18(15,16)14-10-5-3-4-9(13)8-10/h3-8,14H,2H2,1H3.
What are the key properties of 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide?
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 47309123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).