N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide

C11H10ClNO3S — CID 58565693

IUPACN-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12
InChIInChI=1S/C11H10ClNO3S/c1-17(15,16)13-10-6-9(12)11(14)8-5-3-2-4-7(8)10/h2-6,13-14H,1H3
InChIKeyZZOBBNPJFPANFJ-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.57
Rot. Bonds2

About N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide

N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide (PubChem CID 58565693) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide
PubChem CID58565693
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC NameN-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12
InChIInChI=1S/C11H10ClNO3S/c1-17(15,16)13-10-6-9(12)11(14)8-5-3-2-4-7(8)10/h2-6,13-14H,1H3
InChIKeyZZOBBNPJFPANFJ-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)methanesulfonamide 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

2-chloro-4-(dimethylsulfamoylamino)-1-hydroxynaphthalene
CID 58565692
4-tert-butyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 2398569
N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide
CID 123345522
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 58565728
N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
CID 58565637
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-hydroxy-3-(trifluoromethyl)benzenesulfonamide
CID 144778852
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
1-benzyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 58565804
3-chloro-4-hydroxynaphthalene-1-sulfonic acid
CID 87294713
N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
CID 22719099
1-acetyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide
CID 58565725
N-(4-amino-5-chloro-2-hydroxyphenyl)methanesulfonamide
CID 22719137

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide (CID 58565693) is N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide is CS(=O)(=O)Nc1cc(Cl)c(O)c2ccccc12.
What is the InChIKey of N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide?
The InChIKey is ZZOBBNPJFPANFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-17(15,16)13-10-6-9(12)11(14)8-5-3-2-4-7(8)10/h2-6,13-14H,1H3.
What are the key properties of N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide?
N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide has a molecular weight of 271.73 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxynaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 58565693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).