N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide

C13H14FNO2S2 — CID 47109825

IUPACN-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(F)cc2)s1
InChIInChI=1S/C13H14FNO2S2/c1-9-3-8-13(18-9)19(16,17)15-10(2)11-4-6-12(14)7-5-11/h3-8,10,15H,1-2H3
InChIKeyNUQLMOTWYPSVHB-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.24
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide

N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 47109825) has the molecular formula C13H14FNO2S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID47109825
Molecular FormulaC13H14FNO2S2
Molecular Weight299.39 g/mol
Exact Mass299.04
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(F)cc2)s1
InChIInChI=1S/C13H14FNO2S2/c1-9-3-8-13(18-9)19(16,17)15-10(2)11-4-6-12(14)7-5-11/h3-8,10,15H,1-2H3
InChIKeyNUQLMOTWYPSVHB-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 42933754
5-bromo-4-chloro-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 80580119
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 134017266
5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368965
5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368003
N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 22772327

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide (CID 47109825) is N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2ccc(F)cc2)s1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is NUQLMOTWYPSVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S2/c1-9-3-8-13(18-9)19(16,17)15-10(2)11-4-6-12(14)7-5-11/h3-8,10,15H,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 299.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 47109825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).