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

C13H11NO4S — CID 819586

IUPACN-(4-formyl-3-hydroxyphenyl)benzenesulfonamide
SMILESO=Cc1ccc(NS(=O)(=O)c2ccccc2)cc1O
InChIInChI=1S/C13H11NO4S/c15-9-10-6-7-11(8-13(10)16)14-19(17,18)12-4-2-1-3-5-12/h1-9,14,16H
InChIKeySFMIGFOCOPOAFP-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.01
Rot. Bonds4

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

N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide (PubChem CID 819586) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-formyl-3-hydroxyphenyl)benzenesulfonamide
PubChem CID819586
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC NameN-(4-formyl-3-hydroxyphenyl)benzenesulfonamide
SMILESO=Cc1ccc(NS(=O)(=O)c2ccccc2)cc1O
InChIInChI=1S/C13H11NO4S/c15-9-10-6-7-11(8-13(10)16)14-19(17,18)12-4-2-1-3-5-12/h1-9,14,16H
InChIKeySFMIGFOCOPOAFP-UHFFFAOYSA-N
XLogP2.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide 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-quinoxalin-6-ylbenzenesulfonamide
CID 3860445
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
CID 6366416
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide
CID 134878745
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 1073704
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
3-formyl-N-phenylbenzenesulfonamide
CID 22601475
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406207
4-(benzenesulfonamido)-2-methylbenzenesulfonamide
CID 43246869
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide (CID 819586) is N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide is O=Cc1ccc(NS(=O)(=O)c2ccccc2)cc1O.
What is the InChIKey of N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is SFMIGFOCOPOAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c15-9-10-6-7-11(8-13(10)16)14-19(17,18)12-4-2-1-3-5-12/h1-9,14,16H.
What are the key properties of N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide?
N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 277.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 819586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).