N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide

C16H15FN2O2S3 — CID 110317199

IUPACN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3F)n2)s1
InChIInChI=1S/C16H15FN2O2S3/c1-11-6-7-15(23-11)24(20,21)18-9-8-12-10-22-16(19-12)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3
InChIKeyHNKWSFJCUNZGDN-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.84
Rot. Bonds6

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 110317199) has the molecular formula C16H15FN2O2S3 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID110317199
Molecular FormulaC16H15FN2O2S3
Molecular Weight382.51 g/mol
Exact Mass382.03
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3F)n2)s1
InChIInChI=1S/C16H15FN2O2S3/c1-11-6-7-15(23-11)24(20,21)18-9-8-12-10-22-16(19-12)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3
InChIKeyHNKWSFJCUNZGDN-UHFFFAOYSA-N
XLogP3.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 7640563
5-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110722046
4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110284985
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 55873109
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
CID 110717928
5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110397970
5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 136767933
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide (CID 110317199) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3F)n2)s1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is HNKWSFJCUNZGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S3/c1-11-6-7-15(23-11)24(20,21)18-9-8-12-10-22-16(19-12)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 382.51 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110317199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).