N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide

C13H9ClN2O3S — CID 64786986

IUPACN-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1
InChIInChI=1S/C13H9ClN2O3S/c14-12-7-10(17)4-5-13(12)16-20(18,19)11-3-1-2-9(6-11)8-15/h1-7,16-17H
InChIKeyJKXMMEQPCXTALI-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.72
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide

N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide (PubChem CID 64786986) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
PubChem CID64786986
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1
InChIInChI=1S/C13H9ClN2O3S/c14-12-7-10(17)4-5-13(12)16-20(18,19)11-3-1-2-9(6-11)8-15/h1-7,16-17H
InChIKeyJKXMMEQPCXTALI-UHFFFAOYSA-N
XLogP2.72
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.72
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

N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164863478
3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 64794952
2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 45273664
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 64788737

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide (CID 64786986) is N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide?
The InChIKey is JKXMMEQPCXTALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-12-7-10(17)4-5-13(12)16-20(18,19)11-3-1-2-9(6-11)8-15/h1-7,16-17H.
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide?
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 64786986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).