N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide

C14H8ClF6NO3S — CID 71508633

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8ClF6NO3S/c15-9-1-2-11(23)12(6-9)26(24,25)22-10-4-7(13(16,17)18)3-8(5-10)14(19,20)21/h1-6,22-23H
InChIKeyYBMQJGHRUVZVEV-UHFFFAOYSA-N
MW419.73 g/mol
LogP4.88
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide (PubChem CID 71508633) has the molecular formula C14H8ClF6NO3S and a molecular weight of 419.73 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide
PubChem CID71508633
Molecular FormulaC14H8ClF6NO3S
Molecular Weight419.73 g/mol
Exact Mass418.98
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8ClF6NO3S/c15-9-1-2-11(23)12(6-9)26(24,25)22-10-4-7(13(16,17)18)3-8(5-10)14(19,20)21/h1-6,22-23H
InChIKeyYBMQJGHRUVZVEV-UHFFFAOYSA-N
XLogP4.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.73
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide (CID 71508633) is N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide?
The InChIKey is YBMQJGHRUVZVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6NO3S/c15-9-1-2-11(23)12(6-9)26(24,25)22-10-4-7(13(16,17)18)3-8(5-10)14(19,20)21/h1-6,22-23H.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide has a molecular weight of 419.73 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 71508633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).