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

C15H11F3N2O3S2 — CID 2742810

IUPACN-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C15H11F3N2O3S2/c16-15(17,18)13-8-11(20-23-13)12-6-7-14(24-12)25(21,22)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyDLVCVTRFUZGZDF-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.90
Rot. Bonds5

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

N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 2742810) has the molecular formula C15H11F3N2O3S2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID2742810
Molecular FormulaC15H11F3N2O3S2
Molecular Weight388.39 g/mol
Exact Mass388.02
IUPAC NameN-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C15H11F3N2O3S2/c16-15(17,18)13-8-11(20-23-13)12-6-7-14(24-12)25(21,22)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2
InChIKeyDLVCVTRFUZGZDF-UHFFFAOYSA-N
XLogP3.90
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 1484368
N-[(2-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16024977
N-(2-ethyl-6-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025015
5-(3,4-Dimethyl-1,2-oxazol-5-YL)-2-methyl-N-[(thiophen-2-YL)methyl]benzene-1-sulfonamide
CID 16025027
N-[(2-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025226
3,5-dimethyl-N-[(5-phenylthiophen-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 76317025
3-[5-(tetrahydro-1H-pyrrol-1-ylsulfonyl)-2-thienyl]-5-(trifluoromethyl)isoxazole
CID 2823119
2,4-difluoro-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738172
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-(2,5-Dimethylphenyl)-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazine
CID 16025219
1-(4-Fluorophenyl)-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl}sulfonyl)piperazine
CID 16025246

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 2742810) is N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is DLVCVTRFUZGZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S2/c16-15(17,18)13-8-11(20-23-13)12-6-7-14(24-12)25(21,22)19-9-10-4-2-1-3-5-10/h1-8,19H,9H2.
What are the key properties of N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 388.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2742810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).