N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide

C10H9F3N2O2S3 — CID 71984704

IUPACN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H9F3N2O2S3/c1-15(20(16,17)9-3-2-4-18-9)5-8-14-7(6-19-8)10(11,12)13/h2-4,6H,5H2,1H3
InChIKeyAAUDFHNKCYQCRY-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.04
Rot. Bonds4

About N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide

N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 71984704) has the molecular formula C10H9F3N2O2S3 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID71984704
Molecular FormulaC10H9F3N2O2S3
Molecular Weight342.39 g/mol
Exact Mass341.98
IUPAC NameN-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H9F3N2O2S3/c1-15(20(16,17)9-3-2-4-18-9)5-8-14-7(6-19-8)10(11,12)13/h2-4,6H,5H2,1H3
InChIKeyAAUDFHNKCYQCRY-UHFFFAOYSA-N
XLogP3.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387653
N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 71984699
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
CID 52561453
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine
CID 133483771
N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
CID 35385383
N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 9302453

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide (CID 71984704) is N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide is CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is AAUDFHNKCYQCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S3/c1-15(20(16,17)9-3-2-4-18-9)5-8-14-7(6-19-8)10(11,12)13/h2-4,6H,5H2,1H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide?
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 342.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71984704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).