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

C11H11F3N2O3S2 — CID 45106738

IUPACN-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C11H11F3N2O3S2/c1-2-5-15-21(17,18)10-4-3-8(20-10)7-6-9(16-19-7)11(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyIBKUOBBBKVFWBF-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.11
Rot. Bonds5

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

N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 45106738) has the molecular formula C11H11F3N2O3S2 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID45106738
Molecular FormulaC11H11F3N2O3S2
Molecular Weight340.35 g/mol
Exact Mass340.02
IUPAC NameN-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C11H11F3N2O3S2/c1-2-5-15-21(17,18)10-4-3-8(20-10)7-6-9(16-19-7)11(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyIBKUOBBBKVFWBF-UHFFFAOYSA-N
XLogP3.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16024977
N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
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
N-[(4-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025196
3-Methyl-5-[5-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936239
5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 16024975
N-(3,5-dimethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025011
N-(3-acetylphenyl)-5-(3-methyl-5-isoxazolyl)-2-thiophenesulfonamide
CID 20936238
N-methyl-N-(3-propan-2-yloxypropyl)-1-[5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophen-2-yl]sulfonylpiperidin-4-amine
CID 24790953
N,N-Dimethyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonamide
CID 542127

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 45106738) is N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1.
What is the InChIKey of N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is IBKUOBBBKVFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S2/c1-2-5-15-21(17,18)10-4-3-8(20-10)7-6-9(16-19-7)11(12,13)14/h3-4,6,15H,2,5H2,1H3.
What are the key properties of N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 340.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 45106738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).