5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide

C15H12N2O3S — CID 106912855

IUPAC5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C15H12N2O3S/c1-11-2-3-13(9-16)8-15(11)21(19,20)17-14-6-4-12(10-18)5-7-14/h2-8,10,17H,1H3
InChIKeyDOBZPOPRAFTHRA-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.48
Rot. Bonds4

About 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide

5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide (PubChem CID 106912855) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide
PubChem CID106912855
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C=O)cc1
InChIInChI=1S/C15H12N2O3S/c1-11-2-3-13(9-16)8-15(11)21(19,20)17-14-6-4-12(10-18)5-7-14/h2-8,10,17H,1H3
InChIKeyDOBZPOPRAFTHRA-UHFFFAOYSA-N
XLogP2.48
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-(3-formylphenyl)-2-methylbenzenesulfonamide
CID 106998702
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
3-[(5-cyano-2-methylphenyl)sulfonylamino]benzoic acid
CID 167981446
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide
CID 115749656
(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
CID 26852058
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912630

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide (CID 106912855) is 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C=O)cc1.
What is the InChIKey of 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is DOBZPOPRAFTHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-11-2-3-13(9-16)8-15(11)21(19,20)17-14-6-4-12(10-18)5-7-14/h2-8,10,17H,1H3.
What are the key properties of 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide?
5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106912855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).