N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide

C14H11ClN2O3S — CID 115663122

IUPACN-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide
SMILESCc1cc(Cl)cc(NS(=O)(=O)c2ccccc2C#N)c1O
InChIInChI=1S/C14H11ClN2O3S/c1-9-6-11(15)7-12(14(9)18)17-21(19,20)13-5-3-2-4-10(13)8-16/h2-7,17-18H,1H3
InChIKeyIEVLAAGUFVVHIO-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.03
Rot. Bonds3

About N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide

N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide (PubChem CID 115663122) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide
PubChem CID115663122
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC NameN-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide
SMILESCc1cc(Cl)cc(NS(=O)(=O)c2ccccc2C#N)c1O
InChIInChI=1S/C14H11ClN2O3S/c1-9-6-11(15)7-12(14(9)18)17-21(19,20)13-5-3-2-4-10(13)8-16/h2-7,17-18H,1H3
InChIKeyIEVLAAGUFVVHIO-UHFFFAOYSA-N
XLogP3.03
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
2-cyano-N-(5-ethyl-2-hydroxyphenyl)benzenesulfonamide
CID 79913321
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705303
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
2-cyano-N-(2-phenylphenyl)benzenesulfonamide
CID 26979564
5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545879

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide (CID 115663122) is N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide is Cc1cc(Cl)cc(NS(=O)(=O)c2ccccc2C#N)c1O.
What is the InChIKey of N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide?
The InChIKey is IEVLAAGUFVVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-9-6-11(15)7-12(14(9)18)17-21(19,20)13-5-3-2-4-10(13)8-16/h2-7,17-18H,1H3.
What are the key properties of N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide?
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide has a molecular weight of 322.77 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 115663122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).