N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C15H10F4N2O3S2 — CID 20935944

IUPACN-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C15H10F4N2O3S2/c16-10-3-1-9(2-4-10)8-20-26(22,23)14-6-5-12(25-14)11-7-13(24-21-11)15(17,18)19/h1-7,20H,8H2
InChIKeyBMJXRGSTPKRPOP-UHFFFAOYSA-N
MW406.38 g/mol
LogP4.04
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935944) has the molecular formula C15H10F4N2O3S2 and a molecular weight of 406.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935944
Molecular FormulaC15H10F4N2O3S2
Molecular Weight406.38 g/mol
Exact Mass406.01
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C15H10F4N2O3S2/c16-10-3-1-9(2-4-10)8-20-26(22,23)14-6-5-12(25-14)11-7-13(24-21-11)15(17,18)19/h1-7,20H,8H2
InChIKeyBMJXRGSTPKRPOP-UHFFFAOYSA-N
XLogP4.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.04
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-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935944) is N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is BMJXRGSTPKRPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O3S2/c16-10-3-1-9(2-4-10)8-20-26(22,23)14-6-5-12(25-14)11-7-13(24-21-11)15(17,18)19/h1-7,20H,8H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 406.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).