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

C16H13F3N2O3S2 — CID 51044840

IUPAC4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1noc(-c2csc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)c1C
InChIInChI=1S/C16H13F3N2O3S2/c1-9-10(2)20-24-15(9)11-7-14(25-8-11)26(22,23)21-13-6-4-3-5-12(13)16(17,18)19/h3-8,21H,1-2H3
InChIKeyAQEXQRSBPYNIOX-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.84
Rot. Bonds4

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

4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 51044840) has the molecular formula C16H13F3N2O3S2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID51044840
Molecular FormulaC16H13F3N2O3S2
Molecular Weight402.42 g/mol
Exact Mass402.03
IUPAC Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1noc(-c2csc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)c1C
InChIInChI=1S/C16H13F3N2O3S2/c1-9-10(2)20-24-15(9)11-7-14(25-8-11)26(22,23)21-13-6-4-3-5-12(13)16(17,18)19/h3-8,21H,1-2H3
InChIKeyAQEXQRSBPYNIOX-UHFFFAOYSA-N
XLogP4.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51042984
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 51044020
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 51043991
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 53079363
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
N-(2-ethylphenyl)-4-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 53133547
N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 46396342
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079419
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)furan-2-sulfonamide
CID 53085877

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 51044840) is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is Cc1noc(-c2csc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)c1C.
What is the InChIKey of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is AQEXQRSBPYNIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S2/c1-9-10(2)20-24-15(9)11-7-14(25-8-11)26(22,23)21-13-6-4-3-5-12(13)16(17,18)19/h3-8,21H,1-2H3.
What are the key properties of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 402.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 51044840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).