N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide

C16H11ClFNO4S — CID 123345522

IUPACN-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1cc(F)ccc1O
InChIInChI=1S/C16H11ClFNO4S/c17-12-8-13(10-3-1-2-4-11(10)16(12)21)19-24(22,23)15-7-9(18)5-6-14(15)20/h1-8,19-21H
InChIKeyXXRITIPJWSRFHD-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.84
Rot. Bonds3

About N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide

N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide (PubChem CID 123345522) has the molecular formula C16H11ClFNO4S and a molecular weight of 367.79 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide
PubChem CID123345522
Molecular FormulaC16H11ClFNO4S
Molecular Weight367.79 g/mol
Exact Mass367.01
IUPAC NameN-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1cc(F)ccc1O
InChIInChI=1S/C16H11ClFNO4S/c17-12-8-13(10-3-1-2-4-11(10)16(12)21)19-24(22,23)15-7-9(18)5-6-14(15)20/h1-8,19-21H
InChIKeyXXRITIPJWSRFHD-UHFFFAOYSA-N
XLogP3.84
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-hydroxy-3-(trifluoromethyl)benzenesulfonamide
CID 144778852
N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide
CID 58565693
2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
CID 3875086
4-tert-butyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 2398569
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 58565728
2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene
CID 58565692
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
CID 58565637
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide (CID 123345522) is N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1cc(F)ccc1O.
What is the InChIKey of N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide?
The InChIKey is XXRITIPJWSRFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO4S/c17-12-8-13(10-3-1-2-4-11(10)16(12)21)19-24(22,23)15-7-9(18)5-6-14(15)20/h1-8,19-21H.
What are the key properties of N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide?
N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide has a molecular weight of 367.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 123345522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).