N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C10H9F3N2O3S2 — CID 542127

IUPACN,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C10H9F3N2O3S2/c1-15(2)20(16,17)9-4-3-7(19-9)6-5-8(18-14-6)10(11,12)13/h3-5H,1-2H3
InChIKeyDRNRNFJROUHJOV-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.67
Rot. Bonds3

About N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 542127) has the molecular formula C10H9F3N2O3S2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID542127
Molecular FormulaC10H9F3N2O3S2
Molecular Weight326.32 g/mol
Exact Mass326.00
IUPAC NameN,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C10H9F3N2O3S2/c1-15(2)20(16,17)9-4-3-7(19-9)6-5-8(18-14-6)10(11,12)13/h3-5H,1-2H3
InChIKeyDRNRNFJROUHJOV-UHFFFAOYSA-N
XLogP2.67
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Isoxazol-5-ylthiophene-2-sulfonyl)pyrrolidine
CID 2739875
4-(5-Isoxazol-5-ylthiophene-2-sulfonyl)morpholine
CID 2739876
1-Methyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936233
3-[5-(tetrahydro-1H-pyrrol-1-ylsulfonyl)-2-thienyl]-5-(trifluoromethyl)isoxazole
CID 2823119
3-Methyl-5-[5-(piperidinosulfonyl)-2-thienyl]isoxazole
CID 20936285
3-(Thiophen-2-yl)-5-(trifluoromethyl)isoxazole
CID 736194
1-Phenyl-4-({5-[3-(trifluoromethyl)isoxazol-5-yl]thien-2-yl}sulfonyl)piperazine
CID 2823120
N-[(4-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025196
1-(4-Fluorophenyl)-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine
CID 16025246
3-Methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936239
N-benzyl-N-[2-(dimethylamino)ethyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025221
5-(3-Methyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
CID 53212015

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 542127) is N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is DRNRNFJROUHJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S2/c1-15(2)20(16,17)9-4-3-7(19-9)6-5-8(18-14-6)10(11,12)13/h3-5H,1-2H3.
What are the key properties of N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 326.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 542127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).