N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H10F3NO4S — CID 3868261

IUPACN-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO4S/c14-13(15,16)21-11-4-6-12(7-5-11)22(19,20)17-9-2-1-3-10(18)8-9/h1-8,17-18H
InChIKeyKSBUNYXSRNCDSK-UHFFFAOYSA-N
MW333.29 g/mol
LogP3.09
Rot. Bonds4

About N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3868261) has the molecular formula C13H10F3NO4S and a molecular weight of 333.29 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3868261
Molecular FormulaC13H10F3NO4S
Molecular Weight333.29 g/mol
Exact Mass333.03
IUPAC NameN-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO4S/c14-13(15,16)21-11-4-6-12(7-5-11)22(19,20)17-9-2-1-3-10(18)8-9/h1-8,17-18H
InChIKeyKSBUNYXSRNCDSK-UHFFFAOYSA-N
XLogP3.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 3868261) is N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cccc(O)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is KSBUNYXSRNCDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO4S/c14-13(15,16)21-11-4-6-12(7-5-11)22(19,20)17-9-2-1-3-10(18)8-9/h1-8,17-18H.
What are the key properties of N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 333.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3868261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).