N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide

C18H16ClNO5S — CID 58565637

IUPACN-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)c1
InChIInChI=1S/C18H16ClNO5S/c1-24-11-7-8-16(25-2)17(9-11)26(22,23)20-15-10-14(19)18(21)13-6-4-3-5-12(13)15/h3-10,20-21H,1-2H3
InChIKeyBVIZGKXUVMDEDA-UHFFFAOYSA-N
MW393.85 g/mol
LogP4.02
Rot. Bonds5

About N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide

N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 58565637) has the molecular formula C18H16ClNO5S and a molecular weight of 393.85 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID58565637
Molecular FormulaC18H16ClNO5S
Molecular Weight393.85 g/mol
Exact Mass393.04
IUPAC NameN-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)c1
InChIInChI=1S/C18H16ClNO5S/c1-24-11-7-8-16(25-2)17(9-11)26(22,23)20-15-10-14(19)18(21)13-6-4-3-5-12(13)15/h3-10,20-21H,1-2H3
InChIKeyBVIZGKXUVMDEDA-UHFFFAOYSA-N
XLogP4.02
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-2,5-dimethoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide (CID 58565637) is N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)c1.
What is the InChIKey of N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is BVIZGKXUVMDEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5S/c1-24-11-7-8-16(25-2)17(9-11)26(22,23)20-15-10-14(19)18(21)13-6-4-3-5-12(13)15/h3-10,20-21H,1-2H3.
What are the key properties of N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide?
N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 393.85 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 58565637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).