2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C12H10F3N3O4S2 — CID 1484125

IUPAC2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C12H10F3N3O4S2/c1-22-7-2-4-8(5-3-7)24(20,21)6-9(19)16-11-18-17-10(23-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19)
InChIKeyDVLSRWHPHFXUBF-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1484125) has the molecular formula C12H10F3N3O4S2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1484125
Molecular FormulaC12H10F3N3O4S2
Molecular Weight381.36 g/mol
Exact Mass381.01
IUPAC Name2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C12H10F3N3O4S2/c1-22-7-2-4-8(5-3-7)24(20,21)6-9(19)16-11-18-17-10(23-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19)
InChIKeyDVLSRWHPHFXUBF-UHFFFAOYSA-N
XLogP1.98
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1484125) is 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(S(=O)(=O)CC(=O)Nc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is DVLSRWHPHFXUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S2/c1-22-7-2-4-8(5-3-7)24(20,21)6-9(19)16-11-18-17-10(23-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19).
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 381.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1484125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).