1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide

C14H14F3NO3S2 — CID 159156885

IUPAC1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide
SMILESCOc1ccc(CN(c2ccsc2C)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO3S2/c1-10-13(7-8-22-10)18(23(19,20)14(15,16)17)9-11-3-5-12(21-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyKJZSTWRKVHZCES-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.92
Rot. Bonds5

About 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide

1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide (PubChem CID 159156885) has the molecular formula C14H14F3NO3S2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide
PubChem CID159156885
Molecular FormulaC14H14F3NO3S2
Molecular Weight365.40 g/mol
Exact Mass365.04
IUPAC Name1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide
SMILESCOc1ccc(CN(c2ccsc2C)S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H14F3NO3S2/c1-10-13(7-8-22-10)18(23(19,20)14(15,16)17)9-11-3-5-12(21-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyKJZSTWRKVHZCES-UHFFFAOYSA-N
XLogP3.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide (CID 159156885) is 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide is COc1ccc(CN(c2ccsc2C)S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide?
The InChIKey is KJZSTWRKVHZCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3S2/c1-10-13(7-8-22-10)18(23(19,20)14(15,16)17)9-11-3-5-12(21-2)6-4-11/h3-8H,9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide?
1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide has a molecular weight of 365.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(4-methoxyphenyl)methyl]-N-(2-methylthiophen-3-yl)methanesulfonamide is sourced from PubChem (CID 159156885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).