N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide

C17H12F3NO4S — CID 16738589

IUPACN-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F3NO4S/c18-17(19,20)25-11-5-7-12(8-6-11)26(23,24)21-15-9-10-16(22)14-4-2-1-3-13(14)15/h1-10,21-22H
InChIKeyKECMZASBKJCDSY-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.24
Rot. Bonds4

About N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 16738589) has the molecular formula C17H12F3NO4S and a molecular weight of 383.35 g/mol. Its IUPAC name is N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID16738589
Molecular FormulaC17H12F3NO4S
Molecular Weight383.35 g/mol
Exact Mass383.04
IUPAC NameN-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F3NO4S/c18-17(19,20)25-11-5-7-12(8-6-11)26(23,24)21-15-9-10-16(22)14-4-2-1-3-13(14)15/h1-10,21-22H
InChIKeyKECMZASBKJCDSY-UHFFFAOYSA-N
XLogP4.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Tti-101
CID 1324494
Benzenesulfonamide, N-(5-hydroxy-1-naphthalenyl)-4-methyl-
CID 104703
ATG12-ATG3 inhibitor 1
CID 746288
N-(4-hydroxynaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 746362
N-(4-hydroxy-1-naphthyl)-4-methoxybenzenesulfonamide
CID 871185
4-tert-butyl-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 1106000
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 706367
4-ethyl-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 726569
4-fluoro-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 746367
N-(4-hydroxy-1-naphthyl)-2,5-dimethoxybenzenesulfonamide
CID 1242540
N-[4-[(2E)-2-(4-oxo-1-naphthalenylidene)hydrazinyl]phenyl]benzenesulfonamide
CID 4316942
N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 694880

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 16738589) is N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is KECMZASBKJCDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO4S/c18-17(19,20)25-11-5-7-12(8-6-11)26(23,24)21-15-9-10-16(22)14-4-2-1-3-13(14)15/h1-10,21-22H.
What are the key properties of N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 383.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 16738589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).