2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide

C14H11ClN2O3S — CID 80698371

IUPAC2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C14H11ClN2O3S/c1-9-3-2-4-12(18)14(9)17-21(19,20)13-7-10(8-16)5-6-11(13)15/h2-7,17-18H,1H3
InChIKeyYXHLSJURFVNUOV-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide

2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide (PubChem CID 80698371) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
PubChem CID80698371
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C14H11ClN2O3S/c1-9-3-2-4-12(18)14(9)17-21(19,20)13-7-10(8-16)5-6-11(13)15/h2-7,17-18H,1H3
InChIKeyYXHLSJURFVNUOV-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

4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
CID 81422590
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 61036715
2-[(4-cyano-2-methylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 71874462
2-chloro-5-cyano-N-(3-ethynylphenyl)benzenesulfonamide
CID 80696556
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide (CID 80698371) is 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide is Cc1cccc(O)c1NS(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide?
The InChIKey is YXHLSJURFVNUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-9-3-2-4-12(18)14(9)17-21(19,20)13-7-10(8-16)5-6-11(13)15/h2-7,17-18H,1H3.
What are the key properties of 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide?
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide 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 2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 80698371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).