N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide

C8H7ClF3NO3S — CID 170199328

IUPACN-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)C(F)(F)F)cc1O
InChIInChI=1S/C8H7ClF3NO3S/c1-4-2-5(9)6(3-7(4)14)13-17(15,16)8(10,11)12/h2-3,13-14H,1H3
InChIKeyDPHDIMJCFRVIHA-UHFFFAOYSA-N
MW289.66 g/mol
LogP2.62
Rot. Bonds2

About N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide

N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 170199328) has the molecular formula C8H7ClF3NO3S and a molecular weight of 289.66 g/mol. Its IUPAC name is N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID170199328
Molecular FormulaC8H7ClF3NO3S
Molecular Weight289.66 g/mol
Exact Mass288.98
IUPAC NameN-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)C(F)(F)F)cc1O
InChIInChI=1S/C8H7ClF3NO3S/c1-4-2-5(9)6(3-7(4)14)13-17(15,16)8(10,11)12/h2-3,13-14H,1H3
InChIKeyDPHDIMJCFRVIHA-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide (CID 170199328) is N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide is Cc1cc(Cl)c(NS(=O)(=O)C(F)(F)F)cc1O.
What is the InChIKey of N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DPHDIMJCFRVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO3S/c1-4-2-5(9)6(3-7(4)14)13-17(15,16)8(10,11)12/h2-3,13-14H,1H3.
What are the key properties of N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 289.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-hydroxy-4-methylphenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 170199328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).