1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide

C12H10F3NO3S — CID 162383752

IUPAC1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C12H10F3NO3S/c1-19-11-7-6-10(8-4-2-3-5-9(8)11)16-20(17,18)12(13,14)15/h2-7,16H,1H3
InChIKeyFAPJVAAAZBAZPB-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.11
Rot. Bonds3

About 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide

1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide (PubChem CID 162383752) has the molecular formula C12H10F3NO3S and a molecular weight of 305.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide
PubChem CID162383752
Molecular FormulaC12H10F3NO3S
Molecular Weight305.28 g/mol
Exact Mass305.03
IUPAC Name1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C12H10F3NO3S/c1-19-11-7-6-10(8-4-2-3-5-9(8)11)16-20(17,18)12(13,14)15/h2-7,16H,1H3
InChIKeyFAPJVAAAZBAZPB-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide (CID 162383752) is 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide is COc1ccc(NS(=O)(=O)C(F)(F)F)c2ccccc12.
What is the InChIKey of 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide?
The InChIKey is FAPJVAAAZBAZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S/c1-19-11-7-6-10(8-4-2-3-5-9(8)11)16-20(17,18)12(13,14)15/h2-7,16H,1H3.
What are the key properties of 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide?
1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(4-methoxynaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 162383752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).