[4-(trifluoromethoxy)phenyl]methanesulfonamide

C8H8F3NO3S — CID 62085632

IUPAC[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)15-7-3-1-6(2-4-7)5-16(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKeyHJHZUVWKKWIBDB-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.37
Rot. Bonds3

About [4-(trifluoromethoxy)phenyl]methanesulfonamide

[4-(trifluoromethoxy)phenyl]methanesulfonamide (PubChem CID 62085632) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl]methanesulfonamide
PubChem CID62085632
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)15-7-3-1-6(2-4-7)5-16(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKeyHJHZUVWKKWIBDB-UHFFFAOYSA-N
XLogP1.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-[[4-(trifluoromethoxy)phenyl]methylsulfanylsulfonyl]benzene
CID 164614309
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene
CID 9948470
(E)-2-(3-methoxyphenyl)ethenesulfonyl fluoride
CID 155547132
2-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 90940684
2-Methoxybenzenemethanesulfonamide
CID 13266262
(4-Methoxyphenyl)methanesulfonamide
CID 13266264
(4-Methoxyphenyl)methanesulfonyl fluoride
CID 18958403
2-(4-Methoxyphenyl)ethane-1-sulfonyl chloride
CID 13237409
2-(4-Methoxyphenyl)ethane-1-sulfonamide
CID 65445634
(E)-2-(2-methoxyphenyl)ethenesulfonyl fluoride
CID 155530930
(E)-2-(4-methoxyphenyl)ethenesulfonyl fluoride
CID 155561318
2-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 9798779

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl]methanesulfonamide?
The IUPAC name of [4-(trifluoromethoxy)phenyl]methanesulfonamide (CID 62085632) is [4-(trifluoromethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl]methanesulfonamide?
The canonical SMILES for [4-(trifluoromethoxy)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl]methanesulfonamide?
The InChIKey is HJHZUVWKKWIBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c9-8(10,11)15-7-3-1-6(2-4-7)5-16(12,13)14/h1-4H,5H2,(H2,12,13,14).
What are the key properties of [4-(trifluoromethoxy)phenyl]methanesulfonamide?
[4-(trifluoromethoxy)phenyl]methanesulfonamide has a molecular weight of 255.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 62085632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).